4-Octanol
PubChem CID: 11515
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| Compound Synonyms | 4-OCTANOL, 589-62-8, Octan-4-ol, n-Octan-4-ol, Butylpropylcarbinol, 4-Octyl Alcohol, 5HZ7613II2, EINECS 209-654-3, NSC 66398, NSC-66398, DL-OCTAN-4-OL, AI3-37214, (+/-)-4-OCTANOL, DTXSID60870640, 4-OCTANOL, (+/-)-, 4-hydroxyoctane, MFCD00014409, Butyl propyl carbinol, 4-Octanol, (S)-, SCHEMBL78215, UNII-5HZ7613II2, DTXCID40818343, CHEBI:197503, NSC66398, 4-Octanol, >=97.0% (GC), AKOS009157179, BS-52252, DB-053296, CS-0362569, NS00042589, O0155, D91820, Q29863142, 209-654-3 |
|---|---|
| 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 | CCCCCCCC)))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octan-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H18O |
| Inchi Key | WOFPPJOZXUTRAU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | octan-4-ol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Octanol |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| 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/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3 |
| Smiles | CCCCC(CCC)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 Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0