1-Hexadecen-3-ol, 3,5,11,15-tetramethyl-
PubChem CID: 551282
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| Compound Synonyms | 1-Hexadecen-3-ol, 3,5,11,15-tetramethyl-, IOLVAUYSSNEWQQ-UHFFFAOYSA-N, 3,5,11,15-tetramethyl 1-hexadecen3-ol, 3,5,11,15-Tetramethyl-1-hexadecen-3-ol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,11,15-tetramethylhexadec-1-en-3-ol |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C20H40O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IOLVAUYSSNEWQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -6.493 |
| Rotatable Bond Count | 13.0 |
| Logd | 5.654 |
| Compound Name | 1-Hexadecen-3-ol, 3,5,11,15-tetramethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.873141799999999 |
| Inchi | InChI=1S/C20H40O/c1-7-20(6,21)16-19(5)14-10-8-9-13-18(4)15-11-12-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3 |
| Smiles | CC(C)CCCC(C)CCCCCC(C)CC(C)(C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients