pentyl prop-2-enoate

• ChemBase ID: 108358
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: CCCCCOC(=O)C=C
• Canonical SMILES: CCCCCOC(=O)C=C
• InChI: InChI=1S/C8H14O2/c1-3-5-6-7-10-8(9)4-2/h4H,2-3,5-7H2,1H3
• InChIKey: ULDDEWDFUNBUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentyl prop-2-enoate
• IUPAC Traditional name: pentyl prop-2-enoate
• Synonyms: n-AMYL ACRYLATE

Database IDs

• CAS Number: 2998-23-4
• PubChem SID: 162094293
• PubChem CID: 76345

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6806424
• LogD (pH = 7.4): 2.6806424
• Log P: 2.6806424
• Molar Refractivity: 40.5351 cm^3
• Polarizability: 15.986376 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207086

MP Biomedicals Rare Chemical collection