5-methyl-3-methylidene-oxolan-2-one

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Molecular Formula:

C6H8O2

CAS Number:

62873-16-9

Catalog Number:

62873-16-9

Product Information

Molecular Formula:

C6H8O2

Description

5-Methyl-3-methylidene-oxolan-2-one holds tremendous promise in combating a plethora of ailments, encompassing the harrowing domains of inflammation and malignancy. This pharmaceutically alluring compound fashions an excellent groundwork for crafting bespoke remedies targeting afflictions allied to inflammatory disturbances and select malignancies.

Synonyms

5-methyl-3-methylidene-oxolan-2-one; alpha-Methylene-gamma-valerolactone (stabilized with HQ); 2(3H)-Furanone, dihydro-5-methyl-3-methylene-; 5-Methyl-3-methylenedihydrofuran-2(3H)-one

IUPAC Name

5-methyl-3-methylideneoxolan-2-one

Canonical SMILES

CC1CC(=C)C(=O)O1

InChI

InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h5H,1,3H2,2H3

InChI Key

KYLUHLJIAMFYKW-UHFFFAOYSA-N

Boiling Point

219°C at 760 mmHg

Flash Point

90 °C

Purity

95%

Density

1.05

Appearance

Colorless to Light yellow clear liquid

Storage

0-10°C

Computed Properties

XLogP3

1.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

112.052429494 g/mol

Monoisotopic Mass

112.052429494 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

138

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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5-methyl-3-methylidene-oxolan-2-one

Product Information

Computed Properties

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