Home Other Building Blocks 5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester

5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester

CAS No.:
5435-91-6
Catalog Number:
AG00D81T
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$224
- +
5g
95%
1 week
United States
$621
- +
Product Description
Catalog Number:
AG00D81T
Chemical Name:
5,5-Dimethyl-3-oxo-hexanoic acid ethyl ester
CAS Number:
5435-91-6
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD03844434
IUPAC Name:
ethyl 5,5-dimethyl-3-oxohexanoate
InChI:
InChI=1S/C10H18O3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h5-7H2,1-4H3
InChI Key:
PVBDWJORUZWRDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)CC(C)(C)C
NSC Number:
21378
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties