undecylcyclohexane

• ChemBase ID: 112255
• Molecular Formular: C17H34
• Molecular Mass: 238.45186
• Monoisotopic Mass: 238.26605109
• SMILES: CCCCCCCCCCCC1CCCCC1
• Canonical SMILES: CCCCCCCCCCCC1CCCCC1
• InChI: InChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3
• InChIKey: XQQVOBPJWHQXEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecylcyclohexane
• IUPAC Traditional name: undecylcyclohexane
• Synonyms: n-UNDECYL CYCLOHEXANE

Database IDs

• CAS Number: 54105-66-7
• PubChem SID: 162097225
• PubChem CID: 40997

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.400118
• LogD (pH = 7.4): 7.400118
• Log P: 7.400118
• Molar Refractivity: 78.1646 cm^3
• Polarizability: 31.399714 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Flammable (F)
• Risk Statements: R:18
• Safety Statements: S:29

DETAILS

MP Biomedicals - 05223170

MP Biomedicals Rare Chemical collection