3,4,4-Trimethylheptadec-2-en-2-ol
PubChem CID: 71401967
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3,4,4-TRIMETHYLHEPTADEC-2-EN-2-OL, 749862-24-6, DTXSID30822974, tetramethylhexadecenol, DTXCID90773716 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCCCCCCC=CO)C))C))C)C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Enols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,4-trimethylheptadec-2-en-2-ol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 9.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O |
| Inchi Key | SYISQJYTGLOXFK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | tetramethyl hexadecenol |
| Esol Class | Poorly soluble |
| Functional Groups | CC(C)=C(C)O |
| Compound Name | 3,4,4-Trimethylheptadec-2-en-2-ol |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40O/c1-6-7-8-9-10-11-12-13-14-15-16-17-20(4,5)18(2)19(3)21/h21H,6-17H2,1-5H3 |
| Smiles | CCCCCCCCCCCCCC(C)(C)C(=C(C)O)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Bergenia Purpurascens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689 - 2. Outgoing r'ship
FOUND_INto/from Bergenia Stracheyi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1689