4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

• ChemBase ID: 186988
• Molecular Formular: C14H24O6
• Molecular Mass: 288.33676
• Monoisotopic Mass: 288.15728849
• SMILES: [C@H]12[C@H](O[C@@H]([C@@H]1OCC)C1OC(OC1)(C)C)OC(O2)(C)C
• Canonical SMILES: CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)C1COC(O1)(C)C
• InChI: InChI=1S/C14H24O6/c1-6-15-10-9(8-7-16-13(2,3)18-8)17-12-11(10)19-14(4,5)20-12/h8-12H,6-7H2,1-5H3/t8?,9-,10+,11-,12-/m1/s1
• InChIKey: VZBDKHKADBOBDL-UPUXHGCUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane
• IUPAC Traditional name: 4-[(3aR,5R,6S,6aR)-6-ethoxy-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,2-dimethyl-1,3-dioxolane

Database IDs

• PubChem SID: 164242898
• PubChem CID: 16396708

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.4722445
• LogD (pH = 7.4): 1.4722445
• Log P: 1.4722445
• Molar Refractivity: 69.8372 cm^3
• Polarizability: 28.5904 Å^3
• Polar Surface Area: 55.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds