2-Hexen-3-ol
PubChem CID: 85978
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| Compound Synonyms | 2-hexen-3-ol, 16239-11-5, EINECS 240-355-0, SCHEMBL585434, DTXSID00936698, SPWMFXSIAMGJPC-UHFFFAOYSA-N, DB-261075, NS00054884 |
|---|---|
| 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 | Fatty alcohols |
| Deep Smiles | CCCC=CC))O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Enols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.599 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hex-2-en-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O |
| Inchi Key | SPWMFXSIAMGJPC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | hex-2-en-3-ol |
| Esol Class | Very soluble |
| Functional Groups | CC=C(C)O |
| Compound Name | 2-Hexen-3-ol |
| Exact Mass | 100.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 100.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 100.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,7H,3,5H2,1-2H3 |
| Smiles | CCCC(=CC)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
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