2-ethyl-2,4-dimethyl-1,3-dioxolane

• ChemBase ID: 112533
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: CCC1(C)OCC(C)O1
• Canonical SMILES: CCC1(C)OCC(O1)C
• InChI: InChI=1S/C7H14O2/c1-4-7(3)8-5-6(2)9-7/h6H,4-5H2,1-3H3
• InChIKey: MMEAMWZNWXLIIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2,4-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 2-ethyl-2,4-dimethyl-1,3-dioxolane
• Synonyms: 2-ETHYL-2,4-DIMETHYL-1,3-DIOXOLANE

Database IDs

• CAS Number: 2916-28-1
• PubChem SID: 162097465
• PubChem CID: 98083

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5471936
• LogD (pH = 7.4): 1.5471936
• Log P: 1.5471936
• Molar Refractivity: 35.6482 cm^3
• Polarizability: 14.282731 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224550

MP Biomedicals Rare Chemical collection