(2-iodoethyl)cyclopropane

• ChemBase ID: 244434
• Molecular Formular: C5H9I
• Molecular Mass: 196.02943
• Monoisotopic Mass: 195.97489829
• SMILES: C1CC1CCI
• Canonical SMILES: ICCC1CC1
• InChI: InChI=1S/C5H9I/c6-4-3-5-1-2-5/h5H,1-4H2
• InChIKey: GPVQDOZPSDGYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-iodoethyl)cyclopropane
• IUPAC Traditional name: (2-iodoethyl)cyclopropane
• Synonyms: (2-iodoethyl)cyclopropane; (2-Iodo-ethyl)-cyclopropane

Database IDs

• CAS Number: 335449-19-9
• MDL Number: MFCD08669937
• PubChem SID: 164300344
• PubChem CID: 22273685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.59898
• LogD (pH = 7.4): 2.59898
• Log P: 2.59898
• Molar Refractivity: 36.1645 cm^3
• Polarizability: 14.271709 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.968

Product Information

• Purity: 95%; 98%