2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane

• ChemBase ID: 168286
• Molecular Formular: C10H18O4
• Molecular Mass: 202.24752
• Monoisotopic Mass: 202.12050906
• SMILES: C1(CCC2(OCCO2)C)(OCCO1)C
• Canonical SMILES: CC1(CCC2(C)OCCO2)OCCO1
• InChI: InChI=1S/C10H18O4/c1-9(11-5-6-12-9)3-4-10(2)13-7-8-14-10/h3-8H2,1-2H3
• InChIKey: BIRSSQZISKCVNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
• IUPAC Traditional name: 2-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolane
• Synonyms: 2,5-Hexanedione Cyclic Bis(1,2-ethanediyl acetal); NSC 250348; 2,2'-Ethylenebis[2-methyl-1,3-dioxolane]

Database IDs

• CAS Number: 944-26-3
• PubChem SID: 162262418
• PubChem CID: 317590

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9083741
• LogD (pH = 7.4): 0.9083741
• Log P: 0.9083741
• Molar Refractivity: 51.4546 cm^3
• Polarizability: 20.514818 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true