propyl 2-(cyclopent-2-en-1-yl)acetate

• ChemBase ID: 110959
• Molecular Formular: C10H16O2
• Molecular Mass: 168.23284
• Monoisotopic Mass: 168.11502975
• SMILES: CCCOC(=O)CC1CCC=C1
• Canonical SMILES: CCCOC(=O)CC1CCC=C1
• InChI: InChI=1S/C10H16O2/c1-2-7-12-10(11)8-9-5-3-4-6-9/h3,5,9H,2,4,6-8H2,1H3
• InChIKey: QQZDGRWWFCBMPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl 2-(cyclopent-2-en-1-yl)acetate
• IUPAC Traditional name: propyl 2-(cyclopent-2-en-1-yl)acetate
• Synonyms: n-PROPYL-2-CYCLOPENTENYLACETATE

Database IDs

• PubChem SID: 162106422
• PubChem CID: 44135897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.297492
• LogD (pH = 7.4): 2.297492
• Log P: 2.297492
• Molar Refractivity: 48.9783 cm^3
• Polarizability: 18.940886 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217185

MP Biomedicals Rare Chemical collection