4-Methyl-2-heptanol
PubChem CID: 143345
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| Compound Synonyms | 4-Methyl-2-heptanol, 4-methylheptan-2-ol, 56298-90-9, 2-Heptanol, 4-methyl-, DTXSID60875771, 4-methyl-heptan-2-ol, SCHEMBL1658535, CHEBI:165509, DTXCID001013890, LMFA05000630, AKOS011898637, AS-83069, E77700, EN300-1838736 |
|---|---|
| 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 | CCCCCCO)C)))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of Osmanthus fragrans (sweet osmanthus). |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylheptan-2-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H18O |
| Inchi Key | GUHWHNUGIGOSCN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-Heptanol, 4-methyl-, 4-methylheptan-2-ol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Methyl-2-heptanol |
| Kingdom | Organic compounds |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H18O/c1-4-5-7(2)6-8(3)9/h7-9H,4-6H2,1-3H3 |
| Smiles | CCCC(C)CC(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697802