2-pentylcyclopentan-1-one

• ChemBase ID: 121634
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: C1(=O)C(CCC1)CCCCC
• Canonical SMILES: CCCCCC1CCCC1=O
• InChI: InChI=1S/C10H18O/c1-2-3-4-6-9-7-5-8-10(9)11/h9H,2-8H2,1H3
• InChIKey: VNWOJVJCRAHBJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-pentylcyclopentan-1-one
• IUPAC Traditional name: 2-pentylcyclopentan-1-one
• Synonyms: 2-pentylcyclopentanone

Database IDs

• PubChem SID: 162215987
• PubChem CID: 20959

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3648865
• LogD (pH = 7.4): 3.3648865
• Log P: 3.3648865
• Molar Refractivity: 46.6249 cm^3
• Polarizability: 18.4969 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true