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129412-04-0 | Cyclohexanecarboxylic acid, 4-heptyl-, 4-octylphenyl ester, trans-
CAS No: 129412-04-0 Catalog No: AG000Z44 MDL No:
Product Description
Catalog Number:
AG000Z44
Chemical Name:
Cyclohexanecarboxylic acid, 4-heptyl-, 4-octylphenyl ester, trans-
CAS Number:
129412-04-0
Molecular Formula:
C28H46O2
Molecular Weight:
414.6636
IUPAC Name:
(4-octylphenyl) 4-heptylcyclohexane-1-carboxylate
InChI:
InChI=1S/C28H46O2/c1-3-5-7-9-11-13-15-25-18-22-27(23-19-25)30-28(29)26-20-16-24(17-21-26)14-12-10-8-6-4-2/h18-19,22-24,26H,3-17,20-21H2,1-2H3
InChI Key:
KOUJRRHLYQCDLO-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)OC(=O)[C@@H]1CC[C@H](CC1)CCCCCCC
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.35g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.674g/mol
Monoisotopic Mass:
414.35g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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