(2-nitroethenyl)cyclohexane

• ChemBase ID: 284174
• Molecular Formular: C8H13NO2
• Molecular Mass: 155.19432
• Monoisotopic Mass: 155.09462866
• SMILES: [N+](=O)(/C=C/C1CCCCC1)[O-]
• Canonical SMILES: [O-][N+](=O)/C=C/C1CCCCC1
• InChI: InChI=1S/C8H13NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h6-8H,1-5H2
• InChIKey: KCZCKIXXDUBFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-nitroethenyl)cyclohexane
• IUPAC Traditional name: (2-nitroethenyl)cyclohexane
• Synonyms: (2-nitroethenyl)cyclohexane

Database IDs

• MDL Number: MFCD16706709
• PubChem SID: 180669705
• PubChem CID: 11094860

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5124118
• LogD (pH = 7.4): 2.5124118
• Log P: 2.5124118
• Molar Refractivity: 43.1037 cm^3
• Polarizability: 16.40704 Å^3
• Polar Surface Area: 45.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.371

Product Information

• Purity: 95%