1,4-dicyclohexylbenzene

• ChemBase ID: 110465
• Molecular Formular: C18H26
• Molecular Mass: 242.39904
• Monoisotopic Mass: 242.20345083
• SMILES: C1CCC(CC1)c1ccc(cc1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)c1ccc(cc1)C1CCCCC1
• InChI: InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2
• InChIKey: QQFSIGWYINAJOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dicyclohexylbenzene
• IUPAC Traditional name: 1,4-dicyclohexylbenzene
• Synonyms: 1,4-Dicyclohexylbenzene; p-DICYCLOHEXYL BENZENE; 1,4-二环己基苯

Database IDs

• CAS Number: 1087-02-1
• EC Number: 214-121-3
• MDL Number: MFCD00001452
• PubChem SID: 162096443
• PubChem CID: 70664

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.203224
• LogD (pH = 7.4): 6.203224
• Log P: 6.203224
• Molar Refractivity: 78.4412 cm^3
• Polarizability: 30.897497 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 103-105°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05215127

MP Biomedicals Rare Chemical collection