(2H66)dotriacontane

• ChemBase ID: 135022
• Molecular Formular: C32H66
• Molecular Mass: 450.86644
• Monoisotopic Mass: 450.51645211
• SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
• InChIKey: QHMGJGNTMQDRQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₆₆)dotriacontane
• IUPAC Traditional name: (^2H₆₆)dotriacontane
• Synonyms: Dotriacontane-d66; 正三十二烷-d66

Database IDs

• MDL Number: MFCD00209719
• PubChem SID: 162229297
• PubChem CID: 15558711

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.689923
• LogD (pH = 7.4): 14.689923
• Log P: 14.689923
• Molar Refractivity: 149.0342 cm^3
• Polarizability: 59.850937 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 29
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Mass Shift: M+66

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 515.95 by atom % calculation
• Linear Formula: CD3(CD2)30CD3

DETAILS

Sigma Aldrich - 616370

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.