(2R)-6-methoxy-2,6-dimethylheptanoic acid

• ChemBase ID: 310578
• Molecular Formular: C10H20O3
• Molecular Mass: 188.264
• Monoisotopic Mass: 188.1412445
• SMILES: C(=O)([C@@H](CCCC(OC)(C)C)C)O
• Canonical SMILES: COC(CCC[C@H](C(=O)O)C)(C)C
• InChI: InChI=1S/C10H20O3/c1-8(9(11)12)6-5-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)/t8-/m1/s1
• InChIKey: DGMCFAZBBFTYKK-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-6-methoxy-2,6-dimethylheptanoic acid
• IUPAC Traditional name: (2R)-6-methoxy-2,6-dimethylheptanoic acid
• Synonyms: (2R)-6-methoxy-2,6-dimethylheptanoic acid

Database IDs

• MDL Number: MFCD00541049

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5931921
• LogD (pH = 7.4): -0.16745012
• Log P: 2.257482
• Molar Refractivity: 51.385 cm^3
• Polarizability: 20.36385 Å^3
• Polar Surface Area: 46.53 Å^2