Home Other Building Blocks Isopentyl hexanoate

Isopentyl hexanoate

CAS No.:
2198-61-0
Catalog Number:
AG00351Z
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00351Z
Chemical Name:
Isopentyl hexanoate
CAS Number:
2198-61-0
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00027280
IUPAC Name:
3-methylbutyl hexanoate
InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChI Key:
XVSZRAWFCDHCBP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCC(C)C
EC Number:
218-600-8
UNII:
694171CHWH
FEMA Number:
2075
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  
Properties