3,7-Dimethyl-2,7-octadiene-1-ol
PubChem CID: 11252129
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| Compound Synonyms | .alpha.-geraniol, 3,7-dimethyl-2,7-octadiene-1-ol, (2E)-3,7-dimethylocta-2,7-dien-1-ol, SCHEMBL1472220, SCHEMBL1472222, AKOS006331536, (E)-3,7-dimethyl-2,7-octadien-1-ol |
|---|---|
| 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 | Acyclic monoterpenoids |
| Deep Smiles | C/C=CCO)))/CCCC=C)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-3,7-dimethylocta-2,7-dien-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Inchi Key | RIFSGUJLMACJMI-JXMROGBWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | α-geraniol |
| Esol Class | Soluble |
| Functional Groups | C/C=C(/C)C, C=C(C)C, CO |
| Compound Name | 3,7-Dimethyl-2,7-octadiene-1-ol |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| 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/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7,11H,1,4-6,8H2,2-3H3/b10-7+ |
| Smiles | CC(=C)CCC/C(=C/CO)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662594