Home Other Building Blocks 5-methyl-6-(propan-2-yl)oxan-2-one, Mixture of diastereomers

5-methyl-6-(propan-2-yl)oxan-2-one, Mixture of diastereomers

CAS No.:
10200-23-4
Catalog Number:
AG01EIP3
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01EIP3
Chemical Name:
5-methyl-6-(propan-2-yl)oxan-2-one, Mixture of diastereomers
CAS Number:
10200-23-4
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD31665786
IUPAC Name:
5-methyl-6-propan-2-yloxan-2-one
InChI:
InChI=1S/C9H16O2/c1-6(2)9-7(3)4-5-8(10)11-9/h6-7,9H,4-5H2,1-3H3
InChI Key:
RORYOGLYWSZODQ-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(O1)C(C)C)C
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties