Home Other Building Blocks Butanoic acid, 2-methyl-, butyl ester

Butanoic acid, 2-methyl-, butyl ester

CAS No.:
15706-73-7
Catalog Number:
AG001P74
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
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Product Description
Catalog Number:
AG001P74
Chemical Name:
Butanoic acid, 2-methyl-, butyl ester
CAS Number:
15706-73-7
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00042902
IUPAC Name:
butyl 2-methylbutanoate
InChI:
InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChI Key:
OTKQNSSMCDLVQV-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(CC)C
EC Number:
239-798-2
FEMA Number:
3393
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Differential attraction of malaria mosquitoes to volatile blends produced by human skin bacteria. PloS one 20100101
Properties