4-Nonanol
PubChem CID: 22217
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| Compound Synonyms | 4-NONANOL, 5932-79-6, nonan-4-ol, Amylpropylcarbinol, 4-Nonyl Alcohol, 4-Nonanol, (S)-, Propylamylcarbinol, Pentylpropylcarbinol, Propylpentylcarbinol, EINECS 227-679-8, AI3-37212, DTXSID60884202, 4-Nonanol, (4S)-, 4-hydroxynonane, MFCD00021950, SCHEMBL510814, DTXCID40212685, CHEBI:195605, AKOS009156750, CS-0454124, N0336, NS00047394, D91683, 227-679-8 |
|---|---|
| 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 | CCCCCCCCC)))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonan-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O |
| Inchi Key | IXUOEGRSQCCEHB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 4-nonanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Nonanol |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| 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/C9H20O/c1-3-5-6-8-9(10)7-4-2/h9-10H,3-8H2,1-2H3 |
| Smiles | CCCCCC(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 Capillipedium Parviflorum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.677141