1-ethyl-2-methylcyclohexane

• ChemBase ID: 111269
• Molecular Formular: C9H18
• Molecular Mass: 126.23922
• Monoisotopic Mass: 126.14085058
• SMILES: CCC1CCCCC1C
• Canonical SMILES: CCC1CCCCC1C
• InChI: InChI=1S/C9H18/c1-3-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
• InChIKey: XARGIVYWQPXRTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-methylcyclohexane
• IUPAC Traditional name: 1-ethyl-2-methylcyclohexane
• Synonyms: cis-1-ETHYL-2-METHYLCYCLOHEXANE

Database IDs

• PubChem SID: 162106491
• PubChem CID: 35413

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.686019
• LogD (pH = 7.4): 3.686019
• Log P: 3.686019
• Molar Refractivity: 41.3042 cm^3
• Polarizability: 16.623379 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218447

MP Biomedicals Rare Chemical collection