1,1,2,2-tetramethoxycyclohexane

• ChemBase ID: 295610
• Molecular Formular: C10H20O4
• Molecular Mass: 204.2634
• Monoisotopic Mass: 204.13615912
• SMILES: COC1(CCCCC1(OC)OC)OC
• Canonical SMILES: COC1(OC)CCCCC1(OC)OC
• InChI: InChI=1S/C10H20O4/c1-11-9(12-2)7-5-6-8-10(9,13-3)14-4/h5-8H2,1-4H3
• InChIKey: ZGERRGRQKXRTKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetramethoxycyclohexane
• IUPAC Traditional name: 1,1,2,2-tetramethoxycyclohexane
• Synonyms: 1,2-Cyclohexanedione bis(dimethyl acetal); 1,1,2,2-Tetramethoxycyclohexane; 1,1,2,2-四甲氧基环己烷

Database IDs

• CAS Number: 163125-34-6
• MDL Number: MFCD00798587
• PubChem SID: 180681141
• PubChem CID: 2733429

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9415249
• LogD (pH = 7.4): 1.9415249
• Log P: 1.9415249
• Molar Refractivity: 52.7972 cm^3
• Polarizability: 21.228014 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54°C/0.4mm
• Density: 1.064

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%