200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 844-80-4
844-80-4 | 1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-
CAS No: 844-80-4 Catalog No: AG004S2I MDL No:
Product Description
Catalog Number:
AG004S2I
Chemical Name:
1,4-Benzenediol, 2-(1,1-dimethylethyl)-5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
844-80-4
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
2-tert-butyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C18H30O2/c1-16(2,3)11-18(7,8)13-10-14(19)12(9-15(13)20)17(4,5)6/h9-10,19-20H,11H2,1-8H3
InChI Key:
XICYYEQDNMVEPZ-UHFFFAOYSA-N
SMILES:
Oc1cc(c(cc1C(CC(C)(C)C)(C)C)O)C(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.