1-Decanol, 5,9-dimethyl-
PubChem CID: 534457
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| Compound Synonyms | 1-Decanol, 5,9-dimethyl-, 87189-78-4, DTXSID70336545, 5,9-dimethyldecan-1-ol, 5,9-Dimethyl-1-decanol, 5,9-Dimethyl-1-decanol #, DTXCID20287634, STL562270, AKOS030489322 |
|---|---|
| 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 | OCCCCCCCCCC)C)))))C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,9-dimethyldecan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H26O |
| Inchi Key | VQNCGSXNEUQERP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | c12h26o |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 1-Decanol, 5,9-dimethyl- |
| Exact Mass | 186.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 186.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H26O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h11-13H,4-10H2,1-3H3 |
| Smiles | CC(C)CCCC(C)CCCCO |
| 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 Artemisia Scoparia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1278