Basic information
- CAS
21113-55-3- Standard SMILES
c1ccc(C2(c3ccccc3)CCCCC2)cc1- InChIKey
WLHJCCUFRCTNRZ-UHFFFAOYSA-N- Molecular formula
- C18H20
- Average molar mass
- 236.4 g/mol
- Monoisotopic mass
- 236.15650064
Names & identifiers
- Preferred name
- Benzene, 1,1'-cyclohexylidenebis-
- IUPAC
- (1-phenylcyclohexyl)benzene
- English name
- 1,1'-(Cyclohexane-1,1-diyl)bisbenzene
- Molecular formula
- C18H20
- Molecular weight
- 236.35
Names & synonyms
Benzene, 1,1'-cyclohexylidenebis-Cyclohexane, 1,1-diphenyl-21113-55-3DTXSID40175342RefChem:117279DTXCID4097833WLHJCCUFRCTNRZ-UHFFFAOYSA-NdiphenylcyclohexaneSCHEMBL54982SCHEMBL88286SCHEMBL307621SCHEMBL379632
Show more names
1,1-Diphenylcyclohexane1,1'-(Cyclohexane-1,1-diyl)bisbenzene
SCHEMBL451738(1-Phenylcyclohexyl)benzene #SCHEMBL5135074SCHEMBL5135078SCHEMBL5444837SCHEMBL27515044SCHEMBL278508702~3~,2~4~,2~5~,2~6~-Tetrahydro-2~2~H-1~1~,2~1~:2~1~,3~1~-terphenyl
Database identifiers
- CAS
21113-55-3- PubChem CID
- 30490
- DTXSID
DTXSID40175342- Nikkaji
- J122.386K
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 344.8 · 344.8±12.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
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Related reactions
1 records
Compound notes
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