1,7-Nonadien-4-ol, 4,8-dimethyl-
PubChem CID: 536461
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| Compound Synonyms | SCHEMBL11215850, PWEXDCWJSFTGOP-UHFFFAOYSA-N, 1,7-Nonadien-4-ol, 4,8-dimethyl-, 4,8-Dimethyl-1,7-nonadien-4-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,8-dimethylnona-1,7-dien-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C11H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWEXDCWJSFTGOP-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -2.831 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.607 |
| Compound Name | 1,7-Nonadien-4-ol, 4,8-dimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.581936 |
| Inchi | InChI=1S/C11H20O/c1-5-8-11(4,12)9-6-7-10(2)3/h5,7,12H,1,6,8-9H2,2-4H3 |
| Smiles | CC(=CCCC(C)(CC=C)O)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients