Home Other Building Blocks Tert-pentyl butyrate

Tert-pentyl butyrate

CAS No.:
16537-12-5
Catalog Number:
AG001W4Q
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$170
- +
5g
1 week
United States
$587
- +
25g
1 week
United States
$2114
- +
Product Description
Catalog Number:
AG001W4Q
Chemical Name:
Tert-pentyl butyrate
CAS Number:
16537-12-5
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD19600072
IUPAC Name:
tert-butyl 2-methylbutanoate
InChI:
InChI=1S/C9H18O2/c1-6-7(2)8(10)11-9(3,4)5/h7H,6H2,1-5H3
InChI Key:
LPSJKZWOLKMCCA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC(C)(C)C)C
Properties
Complexity:
133  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties