4-[2-(trans-4-Pentylcyclohexyl)ethyl]cyclohexanone
Catalog Number
ACM121040082-1
CAS
121040-08-2
IUPAC Name
4-[2-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
Synonyms
4-[2-(trans-4-Amylcyclohexyl)ethyl]cyclohexanone
Molecular Weight
278.48
Molecular Formula
C19H34O
Product Information
Canonical SMILES
CCCCCC1CCC(CC1)CCC2CCC(=O)CC2
Inchi
InChI=1S/C19H34O/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h16-18H,2-15H2,1H3
InChIKey
ISFMATRVDNBZMP-UHFFFAOYSA-N
Boiling Point
354.3 ± 10.0 °C (predicted)
Melting Point
44 °C
Purity
>98.0%(GC)
Density
0.898
Appearance
White to Almost white powder to lump
storage
Room temperature.
Complexity
266
Heavy Atom Count
20
MDL Number
MFCD14636435
Rotatable Bond Count
7
Monoisotopic Mass
278.260966g/mol
Exact Mass
278.260966g/mol
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