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116090-37-0 | Benzene, 1-[(4-butylphenyl)ethynyl]-4-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS No: 116090-37-0 Catalog No: AG000BMH MDL No:
Product Description
Catalog Number:
AG000BMH
Chemical Name:
Benzene, 1-[(4-butylphenyl)ethynyl]-4-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS Number:
116090-37-0
Molecular Formula:
C29H38
Molecular Weight:
386.6120
IUPAC Name:
1-butyl-4-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]benzene
InChI:
InChI=1S/C29H38/c1-3-5-7-25-10-14-27(15-11-25)17-19-29-22-20-28(21-23-29)18-16-26-12-8-24(6-4-2)9-13-26/h10-11,14-15,20-24,26H,3-9,12-13,16,18H2,1-2H3
InChI Key:
MBTHNQIGXZLMFD-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C#Cc1ccc(cc1)CC[C@@H]1CC[C@H](CC1)CCC
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.297g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.623g/mol
Monoisotopic Mass:
386.297g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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