6,10,14-Hexadecatrien-1-ol, 3,7,11,15-tetramethyl-
PubChem CID: 193857
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| Compound Synonyms | 6,10,14-Hexadecatrien-1-ol, 3,7,11,15-tetramethyl-, 3,7,11,15-TETRAMETHYLHEXADECA-6,10,14-TRIEN-1-OL, 51446-64-1, BCA44664 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCCC=CCCC=CCCC=CC)C)))))C)))))C)))))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H36O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZKWFMIAGZQACFE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.7 |
| Logs | -6.742 |
| Rotatable Bond Count | 11.0 |
| Logd | 5.86 |
| Synonyms | 3,7,11,15-tetramethyl hexadeca-6,10,14-trienol |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 6,10,14-Hexadecatrien-1-ol, 3,7,11,15-tetramethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 292.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 292.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.7281433999999996 |
| Inchi | InChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,20-21H,6-8,10,12,14-16H2,1-5H3 |
| Smiles | CC(CCC=C(C)CCC=C(C)CCC=C(C)C)CCO |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0 - 2. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all