Dimethyl suberate
Product Information
Molecular Formula
C10H18O4
Molecular Weight
202.25
Description
Dimethyl suberate (CAS# 1732-09-8) is a useful research chemical.
Synonyms
dimethyl octanedioate
IUPAC Name
dimethyl octanedioate
SMILES
COC(=O)CCCCCCC(=O)OC
InChI
InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
InChI Key
LNLCRJXCNQABMV-UHFFFAOYSA-N
Boiling Point
268 °C
Purity
95 %
Density
1.01 g/cm3
Appearance
Clear very light yellow liquid.
Storage
2-8 °C
LogP
1.67300
Computed Properties
XLogP3
1.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
202.12050905 g/mol
Monoisotopic Mass
202.12050905 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
157
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
