Dimethyl suberate

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Molecular Formula:

C10H18O4

Molecular Weight:

202.25

CAS Number:

1732-09-8

Catalog Number:

1732-09-8

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

202.12050905 g/mol

Monoisotopic Mass

202.12050905 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

157

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Dimethyl suberate

Product Information

Computed Properties

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