Home Other Building Blocks 2-ethyl-5-methylcyclohexan-1-one

2-ethyl-5-methylcyclohexan-1-one

CAS No.:
116530-93-9
Catalog Number:
AG01BHID
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01BHID
Chemical Name:
2-ethyl-5-methylcyclohexan-1-one
CAS Number:
116530-93-9
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD24688554
IUPAC Name:
2-ethyl-5-methylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-3-8-5-4-7(2)6-9(8)10/h7-8H,3-6H2,1-2H3
InChI Key:
RVJFCLIBKNVRSI-UHFFFAOYSA-N
SMILES:
CCC1CCC(CC1=O)C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties