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83637-11-0 | Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-
CAS No: 83637-11-0 Catalog No: AG004YV7 MDL No:
Product Description
Catalog Number:
AG004YV7
Chemical Name:
Cyclohexanecarboxylic acid, 6-ethyl-2,2-dimethyl-, ethyl ester, trans-
CAS Number:
83637-11-0
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
InChI:
InChI=1S/C13H24O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChI Key:
WOIYBMVBEIFQKM-GHMZBOCLSA-N
SMILES:
CCOC(=O)[C@H]1[C@H](CC)CCCC1(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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