2,4-Dimethyl-1-heptanol
PubChem CID: 537126
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| Compound Synonyms | 2,4-dimethylheptan-1-ol, 2,4-Dimethyl-1-heptanol, 1-Heptanol, 2,4-dimethyl-, 98982-97-9, 9YS12AKM7P, UNII-9YS12AKM7P, 1-Heptanol, 2,4-dimethyl-, (2S,4R)-(-)-, 2,4-Dimethyl-1-heptanol #, 2,4-dimethylheptanol, SCHEMBL294810, AKOS015401560, 633-686-0 |
|---|---|
| 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 | CCCCCCCO))C)))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethylheptan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O |
| Inchi Key | HVRFWRROUIDGQO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,4-dimethylheptan-1-ol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 2,4-Dimethyl-1-heptanol |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3 |
| Smiles | CCCC(C)CC(C)CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Sabdariffa (Plant) Rel Props:Reference:ISBN:9788172362300