bis(2-methylprop-2-en-1-yl) carbonate

• ChemBase ID: 295604
• Molecular Formular: C9H14O3
• Molecular Mass: 170.20566
• Monoisotopic Mass: 170.09429431
• SMILES: CC(=C)COC(=O)OCC(=C)C
• Canonical SMILES: O=C(OCC(=C)C)OCC(=C)C
• InChI: InChI=1S/C9H14O3/c1-7(2)5-11-9(10)12-6-8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: SKCUYCAPQSWGBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methylprop-2-en-1-yl) carbonate
• IUPAC Traditional name: bis(2-methylprop-2-en-1-yl) carbonate
• Synonyms: Bis(2-methylallyl) carbonate; Carbonic acid dimethallyl ester; Dimethallyl carbonate; 碳酸甲代烯丙基酯

Database IDs

• CAS Number: 64057-79-0
• EC Number: 264-645-1
• MDL Number: MFCD00008598
• PubChem SID: 180681135
• PubChem CID: 47083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4910617
• LogD (pH = 7.4): 2.4910617
• Log P: 2.4910617
• Molar Refractivity: 45.9258 cm^3
• Polarizability: 18.286003 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 199-202°C

Safety Information

• RTECS: FF8750000
• TSCA Listed: 是

Product Information

• Purity: 97%