200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 126657-30-5
126657-30-5 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No: 126657-30-5 Catalog No: AG000T1R MDL No:
Product Description
Catalog Number:
AG000T1R
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(3,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS Number:
126657-30-5
Molecular Formula:
C22H28O2
Molecular Weight:
324.4565
IUPAC Name:
4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C22H28O2/c1-13-9-15(10-14(2)19(13)23)16-11-17(21(3,4)5)20(24)18(12-16)22(6,7)8/h9-12H,1-8H3
InChI Key:
QJQMLCUZRRVCPJ-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C1C)C
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.209g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.464g/mol
Monoisotopic Mass:
324.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.