didodecyl phosphonate

• ChemBase ID: 107515
• Molecular Formular: C24H51O3P
• Molecular Mass: 418.633701
• Monoisotopic Mass: 418.35758212
• SMILES: CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC
• InChI: InChI=1S/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3
• InChIKey: KQWYQZYVKPPMBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: didodecyl phosphonate
• IUPAC Traditional name: didodecyl phosphonate
• Synonyms: Dilauryl phosphite; DILAURYL PHOSPHITE; DILAURYL HYDROGEN PHOSPHITE; 亚磷酸二月桂酯

Database IDs

• CAS Number: 21302-09-0; 21302-90-9
• MDL Number: MFCD00015068
• PubChem SID: 162093415
• PubChem CID: 6327798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.7616
• LogD (pH = 7.4): 8.7616
• Log P: 8.7616
• Molar Refractivity: 122.8999 cm^3
• Polarizability: 49.599075 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%
• Grade: technical grade
• Empirical Formula (Hill Notation): C24H51O3P

DETAILS

MP Biomedicals - 05204037

MP Biomedicals Rare Chemical collection