2,2,3-trimethyldecane

• ChemBase ID: 81124
• Molecular Formular: C13H28
• Molecular Mass: 184.36142
• Monoisotopic Mass: 184.2191009
• SMILES: CC(C(CCCCCCC)C)(C)C
• Canonical SMILES: CCCCCCCC(C(C)(C)C)C
• InChI: InChI=1S/C13H28/c1-6-7-8-9-10-11-12(2)13(3,4)5/h12H,6-11H2,1-5H3
• InChIKey: BWEUYKNMLNSHIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3-trimethyldecane
• IUPAC Traditional name: 2,2,3-trimethyldecane
• Synonyms: 2,2,3-Trimethyldecane

Database IDs

• CAS Number: 63328-09-4
• MDL Number: MFCD03788713
• PubChem SID: 162068243
• PubChem CID: 112483

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.783498
• LogD (pH = 7.4): 5.783498
• Log P: 5.783498
• Molar Refractivity: 61.3845 cm^3
• Polarizability: 24.757622 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Harmful/Irritant