3-Decanol, (3R)-
PubChem CID: 12400812
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| Compound Synonyms | 3-Decanol, (3R)-, 138256-81-2, FEMA 3605 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.3 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-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-SNVBAGLBSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.716 |
| Rotatable Bond Count | 7.0 |
| State | Liquid |
| Logd | 0.691 |
| Synonyms | (3R)-3-Decanol, (R)-3-Decanol, 1-Ethyl-1-octanol, 3-Hydroxydecane, 3-Decanol |
| Compound Name | 3-Decanol, (3R)- |
| 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 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.7911669999999997 |
| Inchi | InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3/t10-/m1/s1 |
| Smiles | CCCCCCC[C@@H](CC)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients