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100558-65-4 | Benzene, 1-[2-[4-(trans-4-ethylcyclohexyl)phenyl]ethynyl]-4-propyl-
CAS No: 100558-65-4 Catalog No: AG0002BL MDL No:
Product Description
Catalog Number:
AG0002BL
Chemical Name:
Benzene, 1-[2-[4-(trans-4-ethylcyclohexyl)phenyl]ethynyl]-4-propyl-
CAS Number:
100558-65-4
Molecular Formula:
C25H30
Molecular Weight:
330.5057
IUPAC Name:
1-(4-ethylcyclohexyl)-4-[2-(4-propylphenyl)ethynyl]benzene
InChI:
InChI=1S/C25H30/c1-3-5-21-6-8-22(9-7-21)10-11-23-14-18-25(19-15-23)24-16-12-20(4-2)13-17-24/h6-9,14-15,18-20,24H,3-5,12-13,16-17H2,1-2H3
InChI Key:
LPXGNGUTDHYUJL-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C#Cc1ccc(cc1)[C@@H]1CC[C@H](CC1)CC
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.235g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.515g/mol
Monoisotopic Mass:
330.235g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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