(2R)-2-(2H3)methylbutanoyl chloride

• ChemBase ID: 173036
• Molecular Formular: C5H9ClO
• Molecular Mass: 120.57736
• Monoisotopic Mass: 120.03419259
• SMILES: CC[C@H](C(=O)Cl)C
• Canonical SMILES: C[C@@H](C(=O)Cl)CC
• InChI: InChI=1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m1/s1
• InChIKey: XRPVXVRWIDOORM-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(^2H₃)methylbutanoyl chloride
• IUPAC Traditional name: (2R)-2-(^2H₃)methylbutanoyl chloride
• Synonyms: (S)-2-Methyl-d3-butyryl Chloride; (S)-2-Methyl-d3-butanoic Acid Chloride; (S)-2-Methyl-d3-butanoyl Chloride; (S)-(+)-2-Methylbutanoyl-d3 Chloride; (S)-(+)-2-Methylbutyryl-d3 Chloride; (S)-(+)-α-Methylbutyryl-d3 Chloride; (S)-2-Methylbutyric Acid Chloride-d3

Database IDs

• CAS Number: 1217722-29-6
• PubChem SID: 164228946
• PubChem CID: 71750114

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9980748
• LogD (pH = 7.4): 1.9980748
• Log P: 1.9980748
• Molar Refractivity: 30.3046 cm^3
• Polarizability: 11.898911 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Clear Oil; Colourless Oil