200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 13154-57-9
13154-57-9 | 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-[(1,1-dimethylethyl)dioxy]-4-methyl-
CAS No: 13154-57-9 Catalog No: AG000ZDZ MDL No:
Product Description
Catalog Number:
AG000ZDZ
Chemical Name:
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-[(1,1-dimethylethyl)dioxy]-4-methyl-
CAS Number:
13154-57-9
Molecular Formula:
C19H32O3
Molecular Weight:
308.4556
IUPAC Name:
2,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C19H32O3/c1-16(2,3)13-11-19(10,22-21-18(7,8)9)12-14(15(13)20)17(4,5)6/h11-12H,1-10H3
InChI Key:
ZWNSJLOCNGQCRD-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.235g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.462g/mol
Monoisotopic Mass:
308.235g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.