3,7-Dimethyloct-6-En-3-Ol
PubChem CID: 86749
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| Compound Synonyms | Dihydrolinalool, 3,7-Dimethyloct-6-en-3-ol, 18479-51-1, 3,7-Dimethyl-6-octen-3-ol, 2270-57-7, 1,2-Dihydrolinalool, 6-Octen-3-ol, 3,7-dimethyl-, UNII-VW0O7I863L, VW0O7I863L, DTXSID1044809, EINECS 242-359-8, AI3-24906, 3,7-dimethyl-6-octene-3-ol, (+/-)-DIHYDROLINALOOL, DTXCID9024809, J208.378G, MFCD00059140, SCHEMBL214881, CHEMBL3183324, 6-Octen-3-ol,3,7-dimethyl-, CHEBI:232438, TAA47951, Tox21_301198, AKOS015903380, CS-W010918, HY-W010202, NCGC00248330-01, NCGC00255095-01, LS-13886, CAS-18479-51-1, DB-284307, D1592, NS00012244, E82991, EN300-2068330, Q27292047, 242-359-8 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CCCCCC=CC)C)))))O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyloct-6-en-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JRTBBCBDKSRRCY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -2.398 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.424 |
| Synonyms | dihydro-linalool, dihydrolinalol, dihydrolinalool |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 3,7-Dimethyloct-6-En-3-Ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| 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 | -2.4411677999999997 |
| Inchi | InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3 |
| Smiles | CCC(C)(CCC=C(C)C)O |
| Nring | 0.0 |
| 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 Amomum Subulatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199601)11:1<7::aid-ffj542>3.0.co;2-9 - 2. Outgoing r'ship
FOUND_INto/from Cananga Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Verum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 4. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 5. Outgoing r'ship
FOUND_INto/from Clinopodium Bolivianum (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<377::aid-ffj926>3.0.co;2-p - 6. Outgoing r'ship
FOUND_INto/from Clinopodium Gilliesii (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<377::aid-ffj926>3.0.co;2-p - 7. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 8. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643781 - 10. Outgoing r'ship
FOUND_INto/from Nigella Sativa (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1773 - 11. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t - 12. Outgoing r'ship
FOUND_INto/from Piper Attenuatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 13. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 14. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 15. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(1998070)13:4<235::aid-ffj733>3.0.co;2-t