1-(2-ethoxyethyl)cyclopentane-1-carboxylic acid

• ChemBase ID: 239103
• Molecular Formular: C10H18O3
• Molecular Mass: 186.24812
• Monoisotopic Mass: 186.12559444
• SMILES: C(=O)(C1(CCOCC)CCCC1)O
• Canonical SMILES: CCOCCC1(CCCC1)C(=O)O
• InChI: InChI=1S/C10H18O3/c1-2-13-8-7-10(9(11)12)5-3-4-6-10/h2-8H2,1H3,(H,11,12)
• InChIKey: CIYRHNCLDWOXIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxyethyl)cyclopentane-1-carboxylic acid
• IUPAC Traditional name: 1-(2-ethoxyethyl)cyclopentane-1-carboxylic acid
• Synonyms: 1-(2-ethoxyethyl)cyclopentane-1-carboxylic acid

Database IDs

• MDL Number: MFCD16855637
• PubChem SID: 164295013
• PubChem CID: 62738696

CALCULATED PROPERTIES

• Acid pKa: 4.701964
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1480346
• LogD (pH = 7.4): -0.62975514
• Log P: 2.0094266
• Molar Refractivity: 49.7754 cm^3
• Polarizability: 19.645252 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.022

Product Information

• Purity: 95%