Home Nitriles [1,1'-Bicyclohexyl]-4-carbonitrile,4,4'-dipentyl-, (cis,trans)-

[1,1'-Bicyclohexyl]-4-carbonitrile,4,4'-dipentyl-, (cis,trans)-

CAS No.:
88510-89-8
Catalog Number:
AG003AES
Molecular Formula:
C23H41N
Molecular Weight:
331.5783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$219
- +
1g
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG003AES
Chemical Name:
[1,1'-Bicyclohexyl]-4-carbonitrile,4,4'-dipentyl-, (cis,trans)-
CAS Number:
88510-89-8
Molecular Formula:
C23H41N
Molecular Weight:
331.5783
MDL Number:
MFCD31692181
IUPAC Name:
1-pentyl-4-(4-pentylcyclohexyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C23H41N/c1-3-5-7-9-20-10-12-21(13-11-20)22-14-17-23(19-24,18-15-22)16-8-6-4-2/h20-22H,3-18H2,1-2H3
InChI Key:
HFBISKRSUBYSCV-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@](CC1)(C#N)CCCCC
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.324g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.588g/mol
Monoisotopic Mass:
331.324g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3  
Properties