6-Methyl-3-hepten-1-ol, (3E)-
PubChem CID: 6433270
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| Compound Synonyms | (E)-6-Methylhept-3-en-1-ol, Heptenol, methyl-, 3-Hepten-1-ol, 6-methyl-, (3E)-, 68900-88-9, WA6ZUV6CN5, 6-Methyl-6-hepten-2-ol, 6-Hepten-2-ol, 6-methyl-, trans-6-Methyl-3-hepten-1-ol, EINECS 215-619-3, EINECS 272-640-0, 6-Methyl-3-hepten-1-ol, (3E)-, DTXSID00887555, UNII-WA6ZUV6CN5, SCHEMBL11108748, SCHEMBL15913906, ORDORPRDJRJHON-ONEGZZNKSA-N, DTXCID001026845, NS00012902 |
|---|---|
| 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 | OCC/C=C/CCC)C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.6 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-6-methylhept-3-en-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Inchi Key | ORDORPRDJRJHON-ONEGZZNKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | methyl-heptenol, methylheptenol |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 6-Methyl-3-hepten-1-ol, (3E)- |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| 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/C8H16O/c1-8(2)6-4-3-5-7-9/h3-4,8-9H,5-7H2,1-2H3/b4-3+ |
| Smiles | CC(C)C/C=C/CCO |
| 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 Bursera Penicillata (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172362140; ISBN:9788185042114 - 3. Outgoing r'ship
FOUND_INto/from Cymbopogon Flexuosus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 4. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279