6-Hepten-1-ol, 2-methyl-
PubChem CID: 565262
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| Compound Synonyms | 6-Hepten-1-ol, 2-methyl-, 2-methylhept-6-en-1-ol, 67133-86-2, 2-Methyl-6-hepten-1-ol #, SCHEMBL3447384, DTXSID10340500, UVGLIWCAMUOQPL-UHFFFAOYSA-N, AKOS013990465 |
|---|---|
| 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 | C=CCCCCCO))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylhept-6-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Inchi Key | UVGLIWCAMUOQPL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 6-hepten-1-ol, 2-methyl |
| Esol Class | Very soluble |
| Functional Groups | C=CC, CO |
| Compound Name | 6-Hepten-1-ol, 2-methyl- |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| 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/C8H16O/c1-3-4-5-6-8(2)7-9/h3,8-9H,1,4-7H2,2H3 |
| Smiles | CC(CCCC=C)CO |
| 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 Litsea Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1252695