Home Other Building Blocks 2,2-dimethoxycyclohexan-1-one

2,2-dimethoxycyclohexan-1-one

CAS No.:
38461-13-1
Catalog Number:
AG01BUOV
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01BUOV
Chemical Name:
2,2-dimethoxycyclohexan-1-one
CAS Number:
38461-13-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD24688006
IUPAC Name:
2,2-dimethoxycyclohexan-1-one
InChI:
InChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(8)9/h3-6H2,1-2H3
InChI Key:
XTIUZBZHFHGRIV-UHFFFAOYSA-N
SMILES:
COC1(OC)CCCCC1=O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties