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116090-30-3 | Benzene, 1-[(4-ethylphenyl)ethynyl]-4-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS No: 116090-30-3 Catalog No: AG000BL5 MDL No:
Product Description
Catalog Number:
AG000BL5
Chemical Name:
Benzene, 1-[(4-ethylphenyl)ethynyl]-4-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS Number:
116090-30-3
Molecular Formula:
C27H34
Molecular Weight:
358.5589
IUPAC Name:
1-ethyl-4-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]benzene
InChI:
InChI=1S/C27H34/c1-3-5-23-10-12-25(13-11-23)16-17-27-20-18-26(19-21-27)15-14-24-8-6-22(4-2)7-9-24/h6-9,18-21,23,25H,3-5,10-13,16-17H2,1-2H3
InChI Key:
MKVLQYLIUKSYEB-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)CCc1ccc(cc1)C#Cc1ccc(cc1)CC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.266g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.569g/mol
Monoisotopic Mass:
358.266g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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