(4R,5S)-4,5-dimethyl-1,3-dioxolan-2-one

• ChemBase ID: 126609
• Molecular Formular: C5H8O3
• Molecular Mass: 116.11522
• Monoisotopic Mass: 116.04734412
• SMILES: O=C1O[C@@H](C)[C@@H](C)O1
• Canonical SMILES: C[C@@H]1OC(=O)O[C@@H]1C
• InChI: InChI=1S/C5H8O3/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3/t3-,4+
• InChIKey: LWLOKSXSAUHTJO-ZXZARUISSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R,5S)-4,5-dimethyl-1,3-dioxolan-2-one
• IUPAC Traditional name: cis-2,3-butylene carbonate
• Synonyms: Cis-2,3-Butylene carbonate

Database IDs

• CAS Number: 36368-39-5
• PubChem SID: 162220939
• PubChem CID: 11434932
• Chemspider ID: 9609796
• Wikipedia Title: Cis-2,3-Butylene_carbonate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2034646
• LogD (pH = 7.4): 1.2034646
• Log P: 1.2034646
• Molar Refractivity: 25.905 cm^3
• Polarizability: 10.756112 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true