8-Benzyloxy-3,7-dimethyl-2-octenol
PubChem CID: 54110740
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| Compound Synonyms | NGXLYCWBLKFWHS-UHFFFAOYSA-N, 8-Benzyloxy-3,7-dimethyl-2-octenol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyl-8-phenylmethoxyoct-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NGXLYCWBLKFWHS-UHFFFAOYSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -3.71 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.447 |
| Compound Name | 8-Benzyloxy-3,7-dimethyl-2-octenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6139208105263156 |
| Inchi | InChI=1S/C17H26O2/c1-15(11-12-18)7-6-8-16(2)13-19-14-17-9-4-3-5-10-17/h3-5,9-11,16,18H,6-8,12-14H2,1-2H3 |
| Smiles | CC(CCCC(=CCO)C)COCC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Saluenensis (Plant) Rel Props:Source_db:cmaup_ingredients