Home Other Building Blocks ethyl 3-cyclohexylbutanoate

ethyl 3-cyclohexylbutanoate

CAS No.:
28811-80-5
Catalog Number:
AG01BDDC
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
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Product Description
Catalog Number:
AG01BDDC
Chemical Name:
ethyl 3-cyclohexylbutanoate
CAS Number:
28811-80-5
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
MDL Number:
MFCD22987462
IUPAC Name:
ethyl 3-cyclohexylbutanoate
InChI:
InChI=1S/C12H22O2/c1-3-14-12(13)9-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChI Key:
ILIIDBKOIBLECO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C1CCCCC1)C
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties