1-(dimethylphosphoryl)decane

• ChemBase ID: 5282
• Molecular Formular: C12H27OP
• Molecular Mass: 218.315941
• Monoisotopic Mass: 218.17995211
• SMILES: CP(=O)(CCCCCCCCCC)C
• Canonical SMILES: CCCCCCCCCCP(=O)(C)C
• InChI: InChI=1S/C12H27OP/c1-4-5-6-7-8-9-10-11-12-14(2,3)13/h4-12H2,1-3H3
• InChIKey: GSVLCKASFMVUSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethylphosphoryl)decane
• IUPAC Traditional name: 1-(dimethylphosphoryl)decane
• Synonyms: DECYL(DIMETHYL)PHOSPHINE OXIDE

Database IDs

• PubChem SID: 99444112; 160968711
• PubChem CID: 3492020

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3243055
• LogD (pH = 7.4): 2.3243055
• Log P: 2.3243055
• Molar Refractivity: 65.7656 cm^3
• Polarizability: 26.11414 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 4.82
• LOG S: -5.1
• Solubility (Water): 1.74e-03 g/l

DETAILS

DrugBank - DB07641

Drug information: experimental