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116331-56-7 | Benzenepentanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS No: 116331-56-7 Catalog No: AG000C8H MDL No:
Product Description
Catalog Number:
AG000C8H
Chemical Name:
Benzenepentanoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS Number:
116331-56-7
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
(5-methyl-2-propan-2-ylcyclohexyl) 5-phenylpentanoate
InChI:
InChI=1S/C21H32O2/c1-16(2)19-14-13-17(3)15-20(19)23-21(22)12-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,16-17,19-20H,7-8,11-15H2,1-3H3
InChI Key:
PJHZXRPSSJWLCM-UHFFFAOYSA-N
SMILES:
CC1CCC(C(C1)OC(=O)CCCCc1ccccc1)C(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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