2,6,11-Tridecatrien-10-ol, 2,6,10-trimethyl-
PubChem CID: 5362838
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| Compound Synonyms | 2,6,11-Tridecatrien-10-ol, 2,6,10-trimethyl-, SPJOOUCLBJVSBW-KNHFNUOOSA-N, (2E,7E)-4,8,12-Trimethyl-2,7,11-tridecatrien-4-ol # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C/C=C/CCC/C=C/CCC=CC)C)))))C)))))O)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,7E)-4,8,12-trimethyltrideca-2,7,11-trien-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28O |
| Inchi Key | SPJOOUCLBJVSBW-KNHFNUOOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2,6,10-trimethyl-2,6,11-tridecatrien-10-ol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C/C=C/C, CC=C(C)C, CO |
| Compound Name | 2,6,11-Tridecatrien-10-ol, 2,6,10-trimethyl- |
| Exact Mass | 236.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 236.39 |
| 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 |
| Inchi | InChI=1S/C16H28O/c1-6-12-16(5,17)13-8-11-15(4)10-7-9-14(2)3/h6,9,11-12,17H,7-8,10,13H2,1-5H3/b12-6+,15-11+ |
| Smiles | C/C=C/C(C)(CC/C=C(\C)/CCC=C(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758