dipentyl pentylphosphonate

• ChemBase ID: 109639
• Molecular Formular: C15H33O3P
• Molecular Mass: 292.394481
• Monoisotopic Mass: 292.21673155
• SMILES: CCCCCOP(=O)(CCCCC)OCCCCC
• Canonical SMILES: CCCCCP(=O)(OCCCCC)OCCCCC
• InChI: InChI=1S/C15H33O3P/c1-4-7-10-13-17-19(16,15-12-9-6-3)18-14-11-8-5-2/h4-15H2,1-3H3
• InChIKey: QMOMLBXAJYQNCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipentyl pentylphosphonate
• IUPAC Traditional name: dipentyl pentylphosphonate
• Synonyms: DIAMYL AMYL PHOSPHONATE

Database IDs

• CAS Number: 6418-56-0
• PubChem SID: 162095334
• PubChem CID: 80880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9646983
• LogD (pH = 7.4): 4.9646983
• Log P: 4.9646983
• Molar Refractivity: 81.6902 cm^3
• Polarizability: 33.017742 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05211979

MP Biomedicals Rare Chemical collection