Basic information
- CAS
1706-50-9- Standard SMILES
C1CCC(C2CCCC(C3CCCCC3)C2)CC1- InChIKey
JBQRJHVXZMSLNH-UHFFFAOYSA-N- Molecular formula
- C18H32
- Average molar mass
- 248.4 g/mol
- Monoisotopic mass
- 248.25040102
Names & identifiers
- Preferred name
- 1,1':3',1''-Tercyclohexane
- IUPAC
- 1,3-dicyclohexylcyclohexane
- English name
- 1,1':3',1''-Tercyclohexane
- Molecular formula
- C18H32
- Molecular weight
- 248.45
Names & synonyms
1,1':3',1''-TercyclohexaneRefChem:1051634m-Tercyclohexane1,3-Tercyclohexyl1706-50-9m-Tercyclohexyl1,3-(Dicyclohexyl)cyclohexane1,3-dicyclohexylcyclohexaneperhydro-m-terphenylNSC1148491,1/':3/',1/'/'-TercyclohexaneSCHEMBL1711772
Show more names
SCHEMBL91406611,1':3',1''-tercyclohexylDTXSID10937792JBQRJHVXZMSLNH-UHFFFAOYSA-NNSC 114849NSC-114849NS000093381~1~,2~1~:2~3~,3~1~-Tercyclohexane
Database identifiers
- CAS
1706-50-9- PubChem CID
- 137167
- DTXSID
DTXSID10937792- Nikkaji
- J102.902I
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 62.5 · 62.5-63.5 °C
- Boiling point
- 341.6 · 341.6±9.0 °C(Predicted)
- Density
- 0.931 · 0.931±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 6.7 · 6.7×10-6 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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