1,5,7-Octatrien-3-ol, 3,7-dimethyl-
PubChem CID: 103850
Connections displayed (default: 10).
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| Compound Synonyms | DTXSID50864917, 20053-88-7, 3,7-Dimethylocta-1,5,7-trien-3-ol, CID 103850, 3,?7-?Dimethylocta-?1,?5,?7-?trien-?3-?ol, DTXCID70813381, ZJIQIJIQBTVTDY-UHFFFAOYSA-N, DB-240814, (-)-3,7-dimethyl-1,5,7-octatrien-3-ol, NS00050184 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethylocta-1,5,7-trien-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZJIQIJIQBTVTDY-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -1.721 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.712 |
| Compound Name | 1,5,7-Octatrien-3-ol, 3,7-dimethyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2712693999999995 |
| Inchi | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3 |
| Smiles | CC(=C)C=CCC(C)(C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Inula Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all