2-ethylbutyl prop-2-enoate

• ChemBase ID: 109357
• Molecular Formular: C9H16O2
• Molecular Mass: 156.22214
• Monoisotopic Mass: 156.11502975
• SMILES: CCC(CC)COC(=O)C=C
• Canonical SMILES: CCC(COC(=O)C=C)CC
• InChI: InChI=1S/C9H16O2/c1-4-8(5-2)7-11-9(10)6-3/h6,8H,3-5,7H2,1-2H3
• InChIKey: JGRXEBOFWPLEAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylbutyl prop-2-enoate
• IUPAC Traditional name: 2-ethylbutyl acrylate
• Synonyms: 2-ETHYLBUTYL ACRYLATE

Database IDs

• CAS Number: 3953-10-4
• EC Number: 223-546-3
• PubChem SID: 162094800
• PubChem CID: 19855

CALCULATED PROPERTIES

• Polarizability: 17.827818 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0456152
• LogD (pH = 7.4): 3.0456152
• Log P: 3.0456152
• Molar Refractivity: 45.0067 cm^3

PROPERTIES

Safety Information

• RTECS: AT0300000

DETAILS

MP Biomedicals - 05210761

MP Biomedicals Rare Chemical collection