200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 827042-18-2
827042-18-2 | Pentanedioic acid, 2,4-dimethyl-, dibutyl ester
CAS No: 827042-18-2 Catalog No: AG004VV7 MDL No:
Product Description
Catalog Number:
AG004VV7
Chemical Name:
Pentanedioic acid, 2,4-dimethyl-, dibutyl ester
CAS Number:
827042-18-2
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
IUPAC Name:
dibutyl 2,4-dimethylpentanedioate
InChI:
InChI=1S/C15H28O4/c1-5-7-9-18-14(16)12(3)11-13(4)15(17)19-10-8-6-2/h12-13H,5-11H2,1-4H3
InChI Key:
JCQLHTNWWADZCY-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(CC(C(=O)OCCCC)C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.385g/mol
Monoisotopic Mass:
272.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.