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89435-25-6 | [1,1'-Bicyclohexyl]-4-ol, 4-(2,4-dimethylphenyl)-4'-pentyl-
CAS No: 89435-25-6 Catalog No: AG0043JJ MDL No:
Product Description
Catalog Number:
AG0043JJ
Chemical Name:
[1,1'-Bicyclohexyl]-4-ol, 4-(2,4-dimethylphenyl)-4'-pentyl-
CAS Number:
89435-25-6
Molecular Formula:
C25H40O
Molecular Weight:
356.5845
IUPAC Name:
1-(2,4-dimethylphenyl)-4-(4-pentylcyclohexyl)cyclohexan-1-ol
InChI:
InChI=1S/C25H40O/c1-4-5-6-7-21-9-11-22(12-10-21)23-14-16-25(26,17-15-23)24-13-8-19(2)18-20(24)3/h8,13,18,21-23,26H,4-7,9-12,14-17H2,1-3H3
InChI Key:
LWZAYVCHSOTTHR-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)C1CCC(CC1)(O)c1ccc(cc1C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.308g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.594g/mol
Monoisotopic Mass:
356.308g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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