Dodecen-3-ol
PubChem CID: 107213
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| Compound Synonyms | Dodecen-3-ol, dodec-1-en-3-ol, 4048-42-4, 1-Dodecen-3-ol, EINECS 223-749-7, SCHEMBL811911, DTXSID30960860, NS00049272 |
|---|---|
| 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 | CCCCCCCCCCC=C))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodec-1-en-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O |
| Inchi Key | NJRDPOCRDOOHLF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 1-dodecen-3-ol |
| Esol Class | Soluble |
| Functional Groups | C=CC, CO |
| Compound Name | Dodecen-3-ol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3 |
| Smiles | CCCCCCCCCC(C=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020