200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86509-55-9
86509-55-9 | 2-Cyclohexen-1-one, 6-butyl-5-methyl-, cis-
CAS No: 86509-55-9 Catalog No: AG004VAD MDL No:
Product Description
Catalog Number:
AG004VAD
Chemical Name:
2-Cyclohexen-1-one, 6-butyl-5-methyl-, cis-
CAS Number:
86509-55-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(5R,6R)-6-butyl-5-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C11H18O/c1-3-4-7-10-9(2)6-5-8-11(10)12/h5,8-10H,3-4,6-7H2,1-2H3/t9-,10-/m1/s1
InChI Key:
KAQLHSAURJZXGW-NXEZZACHSA-N
SMILES:
C[C@@H]1CC=CC(=O)[C@@H]1CCCC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.