Dodecan-2-ol
PubChem CID: 25045
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| Compound Synonyms | 2-DODECANOL, Dodecan-2-ol, 10203-28-8, (S)-dodecan-2-ol, Dodecanol-2, Decyl methyl carbinol, EINECS 233-500-4, 91681-57-1, AI3-35259, DTXSID70864232, NSC 86142, dodecanol 2, 2-hydroxydodecane, 2-lauryl alcohol, decylmethylcarbinol, secondary dodecanol, NSC86142, MFCD00004551, 2-Dodecanol, 99%, SCHEMBL120359, CHEMBL446067, DTXCID90812775, CHEBI:195616, CCG-40548, NSC-86142, AKOS009156867, HY-W142410, AS-56322, DA-49415, CS-0204457, D2960, NS00045094, D90139, (RS)-2-Dodecanol, (+/-)-2-Dodecanol, 2-Lauryl alcohol, NSC 86142, 233-500-4 |
|---|---|
| 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 | CCCCCCCCCCCO)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H26O |
| Inchi Key | XSWSEQPWKOWORN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2-dodecanol, dodecan-2-01, dodecan-2-ol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Dodecan-2-ol |
| 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/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3 |
| Smiles | CCCCCCCCCCC(C)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 Humulus Lupulus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040407 - 2. Outgoing r'ship
FOUND_INto/from Kigelia Africana (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1723 - 3. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699135 - 4. Outgoing r'ship
FOUND_INto/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1095