Home Other Building Blocks (5R)-3,3,5-trimethylcyclohexan-1-one

(5R)-3,3,5-trimethylcyclohexan-1-one

CAS No.:
33496-82-1
Catalog Number:
AG01BTVX
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
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Product Description
Catalog Number:
AG01BTVX
Chemical Name:
(5R)-3,3,5-trimethylcyclohexan-1-one
CAS Number:
33496-82-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD24688043
IUPAC Name:
(5R)-3,3,5-trimethylcyclohexan-1-one
InChI:
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3/t7-/m0/s1
InChI Key:
POSWICCRDBKBMH-ZETCQYMHSA-N
SMILES:
C[C@H]1CC(=O)CC(C1)(C)C
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties