4,8-Dimethyl-1-nonanol
PubChem CID: 549996
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| Compound Synonyms | 4,8-Dimethyl-1-nonanol, 4,8-dimethylnonan-1-ol, 33933-80-1, 1-Nonanol, 4,8-dimethyl-, 1-Nonanol,4,8-dimethyl-, 4,8-dimethylnonanol, 4,8-dimethyl-4-nonanol, SCHEMBL317789, DTXSID701020862 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethylnonan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ASDSWUHLJCTXPE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.857 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.006 |
| Compound Name | 4,8-Dimethyl-1-nonanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9726343999999996 |
| Inchi | InChI=1S/C11H24O/c1-10(2)6-4-7-11(3)8-5-9-12/h10-12H,4-9H2,1-3H3 |
| Smiles | CC(C)CCCC(C)CCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients