200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114464-85-6
114464-85-6 | Hexaneperoxoic acid, 3,5,5-trimethyl-, tert-heptyl ester (9CI)
CAS No: 114464-85-6 Catalog No: AG000EGT MDL No:
Product Description
Catalog Number:
AG000EGT
Chemical Name:
Hexaneperoxoic acid, 3,5,5-trimethyl-, tert-heptyl ester (9CI)
CAS Number:
114464-85-6
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
2-methylhexan-2-yl 3,5,5-trimethylhexaneperoxoate
InChI:
InChI=1S/C16H32O3/c1-8-9-10-16(6,7)19-18-14(17)11-13(2)12-15(3,4)5/h13H,8-12H2,1-7H3
InChI Key:
CJIIMYNFOFKVGE-UHFFFAOYSA-N
SMILES:
CCCCC(OOC(=O)CC(CC(C)(C)C)C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.