3-Nonanol
PubChem CID: 12216
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| Compound Synonyms | 3-NONANOL, 624-51-1, nonan-3-ol, Hexylethylcarbinol, Ethylhexylcarbinol, Ethyl hexyl carbinol, (s)-nonan-3-ol, NONANOL-3, EINECS 210-850-6, UNII-047779Z489, DL-NONAN-3-OL, (R)-1-Ethyl-1-heptanol, AI3-37211, (+/-)-3-NONANOL, DTXSID50862317, 3-NONANOL, (+/-)-, 047779Z489, 3-Nonyl Alcohol, nonan-7-ol, MFCD00014411, SCHEMBL295320, CHEMBL487999, DTXCID90811102, CHEBI:165508, LMFA05000507, AKOS009156481, BS-23132, FN167715, DB-054170, CS-0199187, N0335, NS00013036, D91682, EN300-7152518, Q22668733, 210-850-6 |
|---|---|
| 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 |
| Description | Constituent of Scotch spearmint oil and yarrow oil from Achillea fragrantissima. 3-Nonanol is found in spearmint and herbs and spices. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.7 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonan-3-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYSCXPVAKHVAAY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.401 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.819 |
| Synonyms | Ethyl hexyl carbinol, Ethylhexylcarbinol, Hexylethylcarbinol, 3-nonanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 3-Nonanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.4299996000000004 |
| Inchi | InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3 |
| Smiles | CCCCCCC(CC)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
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