trans-2-Dodecen-1-ol
PubChem CID: 5352845
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| Compound Synonyms | trans-2-Dodecenol, trans-2-Dodecen-1-ol, 69064-37-5, (E)-dodec-2-en-1-ol, trans-dodec-2-enol, (E)-2-Dodecenol, (E)2-Dodecen-1-ol, 69064-36-4, DTXSID701017500, (2E)-dodec-2-en-1-ol, 2-Dodecen-ol, MFCD00014047, E-2-dodecen-1-ol, (2E)-2-dodecen-1-ol, SCHEMBL294780, CHEMBL2228468, DTXCID80211394, AKOS015836248, HY-W127557, CS-0185779, D1936, D89949, Q67880208, trans-2-Dodecen-1-ol, 96% (sum of isomers), max. 3% cis |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCC/C=C/CO |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring compound [Flavornet] |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-dodec-2-en-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O |
| Inchi Key | MLRYPOCSLBIUHY-ZHACJKMWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2-dodecenol, 2e-dodecen-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | trans-2-Dodecen-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 184.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 184.32 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h10-11,13H,2-9,12H2,1H3/b11-10+ |
| Smiles | CCCCCCCCC/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698335 - 2. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700259 - 3. Outgoing r'ship
FOUND_INto/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1413956 - 4. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2011.9700451