(Z)-hex-3-en-1-ol
PubChem CID: 88254595
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL8145496 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCC/C=CCC.C/C=CCCCO |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hex-3-en-1-ol, (Z)-hex-4-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H24O2 |
| Inchi Key | RKRUWQOCWAOLOL-DLEFDPBHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | z-hex-3-en-1-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CO |
| Compound Name | (Z)-hex-3-en-1-ol, (Z)-hex-4-en-1-ol |
| Exact Mass | 200.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.32 |
| Gi Absorption | True |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/2C6H12O/c2*1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3, 2-3,7H,4-6H2,1H3/b4-3-, 3-2- |
| Smiles | CC/C=C\CCO.C/C=C\CCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006