4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 71388
• Molecular Formular: C15H26O6
• Molecular Mass: 302.36334
• Monoisotopic Mass: 302.17293855
• SMILES: C1(C(C2OC(OC2)(C)C)OC(O1)(C)C)C1OC(OC1)(C)C
• Canonical SMILES: CC1(C)OC(C(O1)C1COC(O1)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C15H26O6/c1-13(2)16-7-9(18-13)11-12(21-15(5,6)20-11)10-8-17-14(3,4)19-10/h9-12H,7-8H2,1-6H3
• InChIKey: CKECEWYVEGPMPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane
• Synonyms: 4,5-Bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane

Database IDs

• CAS Number: 1214702-92-7
• MDL Number: MFCD00138009
• PubChem SID: 162036978
• PubChem CID: 316522

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.377255
• LogD (pH = 7.4): 1.377255
• Log P: 1.377255
• Molar Refractivity: 75.0246 cm^3
• Polarizability: 30.416552 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%