tert-butyl cyclopropanecarboxylate

• ChemBase ID: 263864
• Molecular Formular: C8H14O2
• Molecular Mass: 142.19556
• Monoisotopic Mass: 142.09937969
• SMILES: C(=O)(C1CC1)OC(C)(C)C
• Canonical SMILES: O=C(C1CC1)OC(C)(C)C
• InChI: InChI=1S/C8H14O2/c1-8(2,3)10-7(9)6-4-5-6/h6H,4-5H2,1-3H3
• InChIKey: FTEAAYMAQFBUJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl cyclopropanecarboxylate
• IUPAC Traditional name: tert-butyl cyclopropanecarboxylate
• Synonyms: tert-butyl cyclopropanecarboxylate

Database IDs

• MDL Number: MFCD09836696
• PubChem SID: 164319774
• PubChem CID: 13676038

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7563043
• LogD (pH = 7.4): 1.7563043
• Log P: 1.7563043
• Molar Refractivity: 38.6176 cm^3
• Polarizability: 15.5047455 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.003

Product Information

• Purity: 95%