Home Other Building Blocks ethyl 7-methyloctanoate

ethyl 7-methyloctanoate

CAS No.:
29490-61-7
Catalog Number:
AG01AL7F
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
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Product Description
Catalog Number:
AG01AL7F
Chemical Name:
ethyl 7-methyloctanoate
CAS Number:
29490-61-7
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD29991248
IUPAC Name:
ethyl 7-methyloctanoate
InChI:
InChI=1S/C11H22O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h10H,4-9H2,1-3H3
InChI Key:
GTXKNKBIKHPHOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(C)C
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Engineering of Candida antarctica lipase B for hydrolysis of bulky carboxylic acid esters. Journal of biotechnology 20101201
Properties