1,4-bis(methoxymethyl)-2,3,5,6-tetramethylbenzene

• ChemBase ID: 112424
• Molecular Formular: C14H22O2
• Molecular Mass: 222.32328
• Monoisotopic Mass: 222.16197994
• SMILES: COCc1c(C)c(C)c(COC)c(C)c1C
• Canonical SMILES: COCc1c(C)c(C)c(c(c1C)C)COC
• InChI: InChI=1S/C14H22O2/c1-9-10(2)14(8-16-6)12(4)11(3)13(9)7-15-5/h7-8H2,1-6H3
• InChIKey: NMPFIRUDZAAOCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-bis(methoxymethyl)-2,3,5,6-tetramethylbenzene
• IUPAC Traditional name: 1,4-bis(methoxymethyl)-2,3,5,6-tetramethylbenzene
• Synonyms: 3,6-DI(METHOXYMETHYL)DURENE

Database IDs

• CAS Number: 1424-78-8
• PubChem SID: 162097338
• PubChem CID: 286720

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7784848
• LogD (pH = 7.4): 3.7784848
• Log P: 3.7784848
• Molar Refractivity: 69.357 cm^3
• Polarizability: 26.130228 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223832

MP Biomedicals Rare Chemical collection