Myrtenal, (+/-)-
PubChem CID: 1201529
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Myrtenal, 18486-69-6, (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde, (?)-Myrtenal, Benihinal, Pin-2-ene-1-carbaldehyde, Myrtenal, (-)-, MFCD00074768, EH2E303QRY, (+/-)-MYRTENAL, 6,6-Dimethyl-2-norpinene-2-carboxaldehyde, FEMA No. 3395, MYRTENAL, (+/-)-, 8J97443QRZ, NSC-54384, (1R)-2-Pinen-10-al, 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, 2-Norpinene-2-carboxaldehyde, 6,6-dimethyl-, 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene, (1R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-carboxaldehyde, EINECS 209-274-8, NSC 54384, AI3-37785, UNII-EH2E303QRY, (-)-(1r,5s)-myrtenal, UNII-8J97443QRZ, Bicyclo[3.1.1]hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1S)-, SCHEMBL1300746, KMRMUZKLFIEVAO-IUCAKERBSA-N, (1R)-(-)-Myrtenal, 98%, Bicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, 6,6-dimethyl-, (1R)-, (1R)-(-)-Myrtenal, >=97%, AKOS015913107, AKOS024287993, FM34895, HY-121401A, (1R)-(-)-Myrtenal, analytical standard, AS-56383, CS-0144279, D94905, EN300-378684, Q27270628, Z1255423695, 2-FORMYL-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE [FHFI], (1R,5S)-6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, 6,6-DIMETHYL-, (1R,5S)-, BICYCLO(3.1.1)HEPT-2-ENE-2-CARBOXALDEHYDE, 6,6-DIMETHYL-, (1R,5S)-REL-, (?)-Myrtenal, (1R)-2-Pinen-10-al, (1R)-6,6-Dimethyl-bicyclo[3.1.1]hept-2-en-2-carbaldehyd, 209-274-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KMRMUZKLFIEVAO-IUCAKERBSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.45 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.938 |
| Compound Name | Myrtenal, (+/-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5827702 |
| Inchi | InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1 |
| Smiles | CC1([C@H]2CC=C([C@@H]1C2)C=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Oxyphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Amomum Krervanh (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Aristolochia Debilis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Bupleurum Marginatum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Bupleurum Smithii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Forsythia Suspensa (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Forsythia Viridissima (Plant) Rel Props:Source_db:cmaup_ingredients - 25. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients - 26. Outgoing r'ship
FOUND_INto/from Liquidambar Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients - 27. Outgoing r'ship
FOUND_INto/from Magnolia Liliiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 28. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 29. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 30. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 31. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients