3-Methyldec-4-en-1-ol
PubChem CID: 6428572
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| Compound Synonyms | 3-methyldec-4-en-1-ol, (E)-3-Methyl-4-decen-1-ol, (4E)-3-methyldec-4-en-1-ol, SCHEMBL26624725, JDCKKTBNCHNHRR-BQYQJAHWSA-N, DTXSID901307226, LMFA05000558, 4-Decen-1-ol, 3-methyl-, (E)-, (+/-)-(E)-3-Methyl-4-decen-1-ol, 24404-71-5 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCC/C=C/CCCO)))C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of nutmeg oil. (±)-(E)-3-Methyl-4-decen-1-ol is found in herbs and spices. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-methyldec-4-en-1-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H22O |
| Inchi Key | JDCKKTBNCHNHRR-BQYQJAHWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | dec-4-en-1-ol 3-methyl |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CO |
| Compound Name | 3-Methyldec-4-en-1-ol |
| Kingdom | Organic compounds |
| Exact Mass | 170.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 170.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H22O/c1-3-4-5-6-7-8-11(2)9-10-12/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+ |
| Smiles | CCCCC/C=C/C(C)CCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9780896038776