Basic information
- CAS
88416-89-1- Standard SMILES
CCCCCC1CCC(C2CCC(COC)CC2)CC1- InChIKey
IGEQYNHAJQNCAL-UHFFFAOYSA-N- Molecular formula
- C19H36O
- Average molar mass
- 280.5 g/mol
- Monoisotopic mass
- 280.27661577
Names & identifiers
- Preferred name
- 4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
- IUPAC
- 1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
- English name
- trans-4-(Methoxymethyl)-1-(trans-4-pentylcyclohexyl)cyclohexane
- Molecular formula
- C19H36O
- Molecular weight
- 280.49
Names & synonyms
88416-89-1DTXSID303405024-(METHOXYMETHYL)-4'-PENTYL-1,1'-BI(CYCLOHEXANE)RefChem:289154DTXCID10291583(Trans,trans)-4-(methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)MeOMe5bcHtrans-4-(Methoxymethyl)-1-(trans-4-pentylcyclohexyl)cyclohexane1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-pentyl-1-(methoxymethyl)-4-(4-pentylcyclohexyl)cyclohexaneSCHEMBL7914112SCHEMBL8452749
Show more names
TRANS,TRANS-4''-PENTYL-4-METHOXYMETHYL-BICYCLOHEXYLtrans,trans-4′-Pentyl-4-methoxymethyl-bicyclohexyl, CAS 88416-89-1
SCHEMBL8736446
Database identifiers
- CAS
88416-89-1- PubChem CID
- 565313
- DTXSID
DTXSID30340502
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 351.955 · 351.955±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.883 · 0.883±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
烟台丰蓬液晶材料有限公司18754503080 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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