2,7-Octadien-1-ol
PubChem CID: 5365650
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| Compound Synonyms | 23578-51-0, 2,7-OCTADIEN-1-OL, 2,7-Octadienol, 1-Octa-2,7-dienol, (2E)-octa-2,7-dien-1-ol, (E)-octa-2,7-dien-1-ol, MFCD00191472, 62179-18-4, 2,7-Octadienol(cis+trans), SCHEMBL514948, (2E)-2,7-Octadien-1-ol #, LS-13475, CS-0449877, Q63396221 |
|---|---|
| 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 | OC/C=C/CCCC=C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-octa-2,7-dien-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O |
| Inchi Key | YHYGSIBXYYKYFB-VOTSOKGWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,7-octadien-1-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, C=CC, CO |
| Compound Name | 2,7-Octadien-1-ol |
| Exact Mass | 126.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.2 |
| 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/C8H14O/c1-2-3-4-5-6-7-8-9/h2,6-7,9H,1,3-5,8H2/b7-6+ |
| Smiles | C=CCCC/C=C/CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1113205