Decan-4-ol
PubChem CID: 16320
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| Compound Synonyms | 4-DECANOL, 2051-31-2, Decan-4-ol, Hexylpropylcarbinol, (R)-4-Decanol, 1-Propylheptyl alcohol, 4-Decyl Alcohol, Decanol-4, EINECS 218-117-2, MFCD00039627, AI3-19949, DTXSID00870927, NSC 2637, NSC-2637, 4-hydroxydecane, 4-aDecanol, NSC2637, SCHEMBL77285, 8EG28W5Z8K, DTXCID60818608, CHEBI:195602, AKOS009156586, HY-W275553, SB85063, LS-13912, DB-045257, CS-0320716, D1380, NS00045745, D89845, (+/-)-4-Decanol, 1-Propylheptyl alcohol, NSC 2637, dl-Decan-4-ol, 4-Decanol, 218-117-2 |
|---|---|
| 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 | CCCCCCCCCC)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.3 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | decan-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22O |
| Inchi Key | DTDMYWXTWWFLGJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 4-decanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Decan-4-ol |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| 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/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3 |
| Smiles | CCCCCCC(CCC)O |
| 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 Brassica Juncea (Plant) Rel Props:Reference:ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Medicago Polymorpha (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643593