3,7,11-Trimethyl-1,10-dodecadiene-3,7-diol
PubChem CID: 71434464
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| Compound Synonyms | 10208-67-0, 3,7,11-TRIMETHYL-1,10-DODECADIENE-3,7-DIOL, DTXSID101347840 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C=CCCCCCCCC=CC)C)))))O)C)))))O)C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,11-trimethyldodeca-1,10-diene-3,7-diol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H28O2 |
| Inchi Key | WNMPAKAQHSXIKK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | caparrapidiol |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=C(C)C, CO |
| Compound Name | 3,7,11-Trimethyl-1,10-dodecadiene-3,7-diol |
| Exact Mass | 240.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.38 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H28O2/c1-6-14(4,16)11-8-12-15(5,17)10-7-9-13(2)3/h6,9,16-17H,1,7-8,10-12H2,2-5H3 |
| Smiles | CC(=CCCC(C)(CCCC(C)(C=C)O)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Littoralis (Plant) Rel Props:Reference:ISBN:9788172362089