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131534-59-3 | 1-Cyclohexene-1-undecanoic acid, 4-(1,1-dimethylethyl)-, methyl ester
CAS No: 131534-59-3 Catalog No: AG000ZCG MDL No:
Product Description
Catalog Number:
AG000ZCG
Chemical Name:
1-Cyclohexene-1-undecanoic acid, 4-(1,1-dimethylethyl)-, methyl ester
CAS Number:
131534-59-3
Molecular Formula:
C22H40O2
Molecular Weight:
336.5518
IUPAC Name:
methyl 11-(4-tert-butylcyclohexen-1-yl)undecanoate
InChI:
InChI=1S/C22H40O2/c1-22(2,3)20-17-15-19(16-18-20)13-11-9-7-5-6-8-10-12-14-21(23)24-4/h15,20H,5-14,16-18H2,1-4H3
InChI Key:
QGHFAMJCHCULOX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCC1=CCC(CC1)C(C)(C)C
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.303g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.56g/mol
Monoisotopic Mass:
336.303g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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