200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 854912-06-4
854912-06-4 | Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-
CAS No: 854912-06-4 Catalog No: AG004N87 MDL No:
Product Description
Catalog Number:
AG004N87
Chemical Name:
Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-
CAS Number:
854912-06-4
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
6,6-dimethyl-2-(2-methylpropyl)bicyclo[3.1.1]heptan-3-one
InChI:
InChI=1S/C13H22O/c1-8(2)5-10-11-6-9(7-12(10)14)13(11,3)4/h8-11H,5-7H2,1-4H3
InChI Key:
BLQUUSSRJOLJLD-UHFFFAOYSA-N
SMILES:
CC(CC1C(=O)CC2CC1C2(C)C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
© 2019 Angene International Limited. All rights Reserved.