Home Other Building Blocks ethyl 4-methylheptanoate

ethyl 4-methylheptanoate

CAS No.:
22084-69-1
Catalog Number:
AG01BDN4
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG01BDN4
Chemical Name:
ethyl 4-methylheptanoate
CAS Number:
22084-69-1
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD28023649
IUPAC Name:
ethyl 4-methylheptanoate
InChI:
InChI=1S/C10H20O2/c1-4-6-9(3)7-8-10(11)12-5-2/h9H,4-8H2,1-3H3
InChI Key:
NYSADWJQUICPEE-UHFFFAOYSA-N
SMILES:
CCCC(CCC(=O)OCC)C
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Ethyl 4-methyl heptanoate: a male-produced pheromone of Nicrophorus vespilloides. Journal of chemical ecology 20080101
Properties