1-ethyl-1-methylcyclopentane

• ChemBase ID: 111271
• Molecular Formular: C8H16
• Molecular Mass: 112.21264
• Monoisotopic Mass: 112.12520051
• SMILES: CCC1(C)CCCC1
• Canonical SMILES: CCC1(C)CCCC1
• InChI: InChI=1S/C8H16/c1-3-8(2)6-4-5-7-8/h3-7H2,1-2H3
• InChIKey: LETYIFNDQBJGPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1-methylcyclopentane
• IUPAC Traditional name: 1-ethyl-1-methylcyclopentane
• Synonyms: 1-ETHYL-1-METHYLCYCLOPENTANE

Database IDs

• PubChem SID: 162106493
• PubChem CID: 28030

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2544782
• LogD (pH = 7.4): 3.2544782
• Log P: 3.2544782
• Molar Refractivity: 36.6297 cm^3
• Polarizability: 14.776336 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218451

MP Biomedicals Rare Chemical collection