Lavandulyl acetate, (+/-)-
PubChem CID: 30247
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Lavandulyl acetate, 25905-14-0, (+/-)-Lavandulyl acetate, acetic acid lavandulyl ester, (R)-Lavandulyl acetate, OU6ZF37MOM, EINECS 244-026-2, (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate, (-)-Lavandulyl acetate, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, 4-HEXEN-1-OL, 5-METHYL-2-(1-METHYLETHENYL)-, ACETATE, (+/-)-Lavandulol acetate, 2-Isopropenyl-5-methylhex-4-enyl acetate, 2-Isopropenyl-5-methyl-4-hexen-1-yl acetate, 3-Acetoxymethyl-2,6-dimethyl-1,5-heptadiene, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (2R)-, DTXSID30904865, ( inverted exclamation markA)-Lavandulyl acetate, LAVANDULYL ACETATE, (+/-)-, 5-METHYL-2-(PROP-1-EN-2-YL)HEX-4-EN-1-YL ACETATE, 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, acetate, 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate, (-)-(R)-Lavandulyl acetate, UNII-OU6ZF37MOM, (+-)-Lavandulol acetate, (+-)-Lavandulyl acetate, (R)-2-Isopropenyl-5-methylhex-4-enyl acetate, EINECS 247-327-7, MFCD16652611, 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-, (??)-Lavandulyl Acetate, SCHEMBL132576, 5-Methyl-2-(1-propen-2-yl)-4-hexen-1-yl Acetate, ACETICACIDLAVANDULYLESTER, (+/-)-2-Isopropenyl-5-methyl-4-hexen-1-yl acetate, DTXCID1030494, (R)-Lavandulyl acetate, (-)-Lavandulyl acetate, (-)-(R)-Lavandulyl acetate, , AKOS032957243, HY-117419A, FL161233, SY319471, DB-253441, CS-0253678, NS00012786, E80382, 5-methyl-2-(prop-1-en-2-yl)hex-4-enyl acetate, Q16948466, 5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol 1-acetate, (+/-)-2-Isopropenyl-5-methyl-4-hexen-1-yl acetate, (+/-)-Lavandulol acetate, 247-327-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=O)OCCC=C)C))CC=CC)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 235.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HYNGAVZPWWXQIU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5833333333333334 |
| Rotatable Bond Count | 6.0 |
| Synonyms | (r)-lavandulyl acetate, lavandullyl acetate, lavandulyl acetate, lavandulyl acetate, lavandulyl-acetate |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CC=C(C)C, COC(C)=O |
| Compound Name | Lavandulyl acetate, (+/-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 196.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.928998 |
| Inchi | InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3 |
| Smiles | CC(=CCC(COC(=O)C)C(=C)C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1280419 - 2. Outgoing r'ship
FOUND_INto/from Achillea Santolina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1147 - 3. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Anaphalis Triplinervis (Plant) Rel Props:Reference:https://doi.org/10.1007/s10600-019-02800-w - 5. Outgoing r'ship
FOUND_INto/from Arnica Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2016.1150216 - 6. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698215 - 7. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1392899 - 8. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Artemisia Persica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181 - 11. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Artemisia Roxburghiana (Plant) Rel Props:Reference:ISBN:9788172362089 - 13. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895181 - 14. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554252 - 15. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643886 - 16. Outgoing r'ship
FOUND_INto/from Cassia Grandis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700409 - 17. Outgoing r'ship
FOUND_INto/from Chrysophyllum Cainito (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1116 - 18. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1510792 - 21. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 22. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453 - 23. Outgoing r'ship
FOUND_INto/from Corymbia Maculata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453 - 24. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643666 - 25. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698506 - 26. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554252 - 27. Outgoing r'ship
FOUND_INto/from Eucalyptus Macarthurii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453 - 28. Outgoing r'ship
FOUND_INto/from Eucalyptus Smithii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453 - 29. Outgoing r'ship
FOUND_INto/from Eucalyptus Tereticornis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699453 - 30. Outgoing r'ship
FOUND_INto/from Eupatorium Cannabinum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643345 - 31. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574 - 32. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643666 - 33. Outgoing r'ship
FOUND_INto/from Glebionis Coronaria (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1408501 - 34. Outgoing r'ship
FOUND_INto/from Heracleum Candicans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1435426 - 35. Outgoing r'ship
FOUND_INto/from Inula Cuspidata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.891264 - 36. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554252 - 37. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 38. Outgoing r'ship
FOUND_INto/from Lavandula Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3145 - 39. Outgoing r'ship
FOUND_INto/from Lavandula Bipinnata (Plant) Rel Props:Reference:ISBN:9770972795006 - 40. Outgoing r'ship
FOUND_INto/from Lavandula Intermedia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1377122 - 41. Outgoing r'ship
FOUND_INto/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2017.1377122 - 42. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751 - 43. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 46. Outgoing r'ship
FOUND_INto/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644030 - 47. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1058 - 48. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006 - 49. Outgoing r'ship
FOUND_INto/from Myrtus Communis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554252 - 50. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644009 - 51. Outgoing r'ship
FOUND_INto/from Ocimum Gratissimum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10644009 - 52. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644030 - 53. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 54. Outgoing r'ship
FOUND_INto/from Pimenta Racemosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644030 - 55. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699296 - 56. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698293 - 57. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 58. Outgoing r'ship
FOUND_INto/from Salvia Sclarea (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644030 - 59. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1360 - 60. Outgoing r'ship
FOUND_INto/from Tanacetum Gracile (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1674 - 61. Outgoing r'ship
FOUND_INto/from Thymus Serpyllum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1010600 - 62. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 63. Outgoing r'ship
FOUND_INto/from Torilis Leptophylla (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662596 - 64. Outgoing r'ship
FOUND_INto/from Vaccinium Myrtillus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1417060