2-propylcyclopentan-1-one

• ChemBase ID: 310551
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C1(=O)C(CCC1)CCC
• Canonical SMILES: CCCC1CCCC1=O
• InChI: InChI=1S/C8H14O/c1-2-4-7-5-3-6-8(7)9/h7H,2-6H2,1H3
• InChIKey: PFUCFFRQJFQQHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylcyclopentan-1-one
• IUPAC Traditional name: 2-propylcyclopentan-1-one
• Synonyms: 2-propylcyclopentanone

Database IDs

• CAS Number: 1193-70-0
• MDL Number: MFCD04363947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4757493
• LogD (pH = 7.4): 2.4757493
• Log P: 2.4757493
• Molar Refractivity: 37.4229 cm^3
• Polarizability: 14.80832 Å^3
• Polar Surface Area: 17.07 Å^2