Home Other Building Blocks 3-(2-methylpropyl)oxan-4-one

3-(2-methylpropyl)oxan-4-one

CAS No.:
1541653-29-5
Catalog Number:
AG01BTLA
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
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Product Description
Catalog Number:
AG01BTLA
Chemical Name:
3-(2-methylpropyl)oxan-4-one
CAS Number:
1541653-29-5
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD30723973
IUPAC Name:
3-(2-methylpropyl)oxan-4-one
InChI:
InChI=1S/C9H16O2/c1-7(2)5-8-6-11-4-3-9(8)10/h7-8H,3-6H2,1-2H3
InChI Key:
HKJSPEXJVDNONX-UHFFFAOYSA-N
SMILES:
CC(CC1COCCC1=O)C
Properties
Complexity:
141  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties