2,2-diethylcyclopropane-1-carboxylic acid

• ChemBase ID: 306563
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C1(C(C1)C(=O)O)(CC)CC
• Canonical SMILES: CCC1(CC)CC1C(=O)O
• InChI: InChI=1S/C8H14O2/c1-3-8(4-2)5-6(8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
• InChIKey: VVIHKNHVJCKLQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethylcyclopropane-1-carboxylic acid
• IUPAC Traditional name: 2,2-diethylcyclopropane-1-carboxylic acid
• Synonyms: 2,2-diethylcyclopropanecarboxylic acid

Database IDs

• CAS Number: 108420-15-1
• MDL Number: MFCD09864205

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.325319
• LogD (pH = 7.4): -0.4418883
• Log P: 2.032654
• Molar Refractivity: 38.2686 cm^3
• Polarizability: 15.256077 Å^3
• Polar Surface Area: 37.3 Å^2