4-methyltetradecane

• ChemBase ID: 112138
• Molecular Formular: C15H32
• Molecular Mass: 212.41458
• Monoisotopic Mass: 212.25040102
• SMILES: CCCCCCCCCCC(C)CCC
• Canonical SMILES: CCCCCCCCCCC(CCC)C
• InChI: InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-14-15(3)13-5-2/h15H,4-14H2,1-3H3
• InChIKey: ITVMHPMCNRGCIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyltetradecane
• IUPAC Traditional name: 4-methyltetradecane
• Synonyms: 4-METHYLTETRADECANE

Database IDs

• CAS Number: 25117-24-2
• PubChem SID: 162097371
• PubChem CID: 520179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.974706
• LogD (pH = 7.4): 6.974706
• Log P: 6.974706
• Molar Refractivity: 70.7648 cm^3
• Polarizability: 28.4516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05222703

MP Biomedicals Rare Chemical collection