(Z)-1,5-octadien-3-ol
PubChem CID: 6430307
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| Compound Synonyms | 50306-18-8, (5Z)-octa-1,5-dien-3-ol, 1,5Z-Octadien-3-ol, Octa-1,5-dien-3-ol, (Z)-1,5-octadien-3-ol, Z-1,5-Octadien-3-ol, K3WU44ANQ8, (Z)-Octa-1,5-dien-3-ol, cis-1,5-Octadien-3-ol (stabilized with ~1% BHT), 1,5-Octadien-3-ol, (Z)-, (5Z)-1,5-Octadien-3-ol, (5Z)-Octa-1,5-dien-3-ol, (Z)-1,5-Octadien-3-ol, (Z)-Octa-1,5-dien-3-ol, starbld0006855, 1,5-cis-Octadien-3-ol, UNII-K3WU44ANQ8, SCHEMBL1116443, CHEBI:195681, DTXSID601314931, ( Z, Z)-1,5-octadien-3-ol, 1,5-Octadien-3-ol, (5Z)-, LMFA05000493, FEMA NO. 4732, (Z)- |
|---|---|
| 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 | CC/C=CCCC=C))O |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z)-octa-1,5-dien-3-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O |
| Inchi Key | APFBWMGEGSELQP-WAYWQWQTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (z)-1,5-octadien-3-ol |
| Esol Class | Very soluble |
| Functional Groups | C/C=CC, C=CC, CO |
| Compound Name | (Z)-1,5-octadien-3-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 | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4-6,8-9H,2-3,7H2,1H3/b6-5- |
| Smiles | CC/C=C\CC(C=C)O |
| 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 Melilotus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643826 - 2. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2007.9699245