3-Decanol
PubChem CID: 519158
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| Compound Synonyms | 3-Decanol, 1565-81-7, decan-3-ol, Ethyl heptyl carbinol, Heptyl ethyl carbinol, Ethyl n-heptyl carbinol, 3-HYDROXYDECANE, FEMA No. 3605, UNII-WTY84QBP4T, WTY84QBP4T, (+/-)-3-Decanol, MFCD00021956, DL-DECAN-3-OL, 3-DECANOL [FHFI], 1-ETHYL-1-OCTANOL, AI3-19948, DTXSID50862695, 3-DECANOL, (+/-)-, Ethylheptylcarbinol, FEMA 3605, 3-Decyl Alcohol, deca-8-yl alcohol, 3-Decanol, AldrichCPR, SCHEMBL194832, DTXCID90811425, CHEBI:195405, LMFA05000510, AKOS009158368, AS-56144, CS-0333995, D1176, NS00096145, D89804, Q27292837, 605-062-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Flavouring ingredient |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decan-3-ol |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 3.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C10H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICEQLCZWZXUUIJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.936 |
| Rotatable Bond Count | 7.0 |
| State | Liquid |
| Logd | 3.116 |
| Synonyms | 3-DECANOL, Ethyl heptyl carbinol, FEMA 3605, Heptyl ethyl carbinol |
| Substituent Name | Fatty alcohol, Secondary alcohol, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Compound Name | 3-Decanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7911669999999997 |
| Inchi | InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3 |
| Smiles | CCCCCCCC(CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:fooddb_chem_all