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

Butanoic acid, 2-methyl-, hexyl ester

CAS No.:
10032-15-2
Catalog Number:
AG0001MO
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
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Product Description
Catalog Number:
AG0001MO
Chemical Name:
Butanoic acid, 2-methyl-, hexyl ester
CAS Number:
10032-15-2
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00048880
IUPAC Name:
hexyl 2-methylbutanoate
InChI:
InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChI Key:
YUECNVSODFDKOQ-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(CC)C
EC Number:
233-106-2
FEMA Number:
3499
Properties
Complexity:
132  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties