1-ethenyl-1-[(1-ethenylcyclohexyl)oxy]cyclohexane

• ChemBase ID: 110148
• Molecular Formular: C16H26O
• Molecular Mass: 234.37704
• Monoisotopic Mass: 234.19836545
• SMILES: C=CC1(CCCCC1)OC1(CCCCC1)C=C
• Canonical SMILES: C=CC1(CCCCC1)OC1(C=C)CCCCC1
• InChI: InChI=1S/C16H26O/c1-3-15(11-7-5-8-12-15)17-16(4-2)13-9-6-10-14-16/h3-4H,1-2,5-14H2
• InChIKey: AQQWKBSXGVQULP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-1-[(1-ethenylcyclohexyl)oxy]cyclohexane
• IUPAC Traditional name: 1-ethenyl-1-[(1-ethenylcyclohexyl)oxy]cyclohexane
• Synonyms: VINYLCYCLOHEXYL ETHER

Database IDs

• PubChem SID: 162106341
• PubChem CID: 19089658

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.033128
• LogD (pH = 7.4): 5.033128
• Log P: 5.033128
• Molar Refractivity: 73.1455 cm^3
• Polarizability: 28.988358 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05213916

MP Biomedicals Rare Chemical collection