2-methyl(2-13C)but-2-ene

• ChemBase ID: 135145
• Molecular Formular: C5H10
• Molecular Mass: 71.12555484
• Monoisotopic Mass: 71.08160516
• SMILES: CC=[13C](C)C
• Canonical SMILES: CC=[13C](C)C
• InChI: InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3/i5+1
• InChIKey: BKOOMYPCSUNDGP-HOSYLAQJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl(2-^1^3C)but-2-ene
• IUPAC Traditional name: 2-methyl(2-^1^3C)but-2-ene
• Synonyms: 2-Methyl-2-butene-2-13C; 2-甲基-2-丁烯-2-13C

Database IDs

• MDL Number: MFCD04118166
• PubChem SID: 162229420
• PubChem CID: 71309112

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1234403
• LogD (pH = 7.4): 2.1234403
• Log P: 2.1234403
• Molar Refractivity: 25.6048 cm^3
• Polarizability: 9.757488 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -134 °C(lit.)
• Boiling Point: 35-38 °C(lit.)
• Density: 0.671 g/mL(lit.)
• Mass Shift: M+1

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 71.12 by atom % calculation
• Linear Formula: CH3CH=13C(CH3)2

DETAILS

Sigma Aldrich - 604461

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.