200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 179264-45-0
179264-45-0 | 3-Butyn-2-ol, 4,4'-[2,5-bis(decyloxy)-1,4-phenylene]bis[2-methyl-
CAS No: 179264-45-0 Catalog No: AG0026W2 MDL No:
Product Description
Catalog Number:
AG0026W2
Chemical Name:
3-Butyn-2-ol, 4,4'-[2,5-bis(decyloxy)-1,4-phenylene]bis[2-methyl-
CAS Number:
179264-45-0
Molecular Formula:
C36H58O4
Molecular Weight:
554.8433
IUPAC Name:
4-[2,5-didecoxy-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-methylbut-3-yn-2-ol
InChI:
InChI=1S/C36H58O4/c1-7-9-11-13-15-17-19-21-27-39-33-29-32(24-26-36(5,6)38)34(30-31(33)23-25-35(3,4)37)40-28-22-20-18-16-14-12-10-8-2/h29-30,37-38H,7-22,27-28H2,1-6H3
InChI Key:
DLBJRNQFUPMSOG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(C#CC(O)(C)C)c(cc1C#CC(O)(C)C)OCCCCCCCCCC
Properties
Complexity:
708
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.434g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
554.856g/mol
Monoisotopic Mass:
554.434g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.