3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid

C7H8O4 — CID 143515244

IUPAC3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid
SMILESC=C1C(=O)OCC1(C)C(=O)O
InChIInChI=1S/C7H8O4/c1-4-5(8)11-3-7(4,2)6(9)10/h1,3H2,2H3,(H,9,10)
InChIKeyUVJYVHCEZRZXCR-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.19
Rot. Bonds1

About 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid

3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid (PubChem CID 143515244) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid
PubChem CID143515244
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid
SMILESC=C1C(=O)OCC1(C)C(=O)O
InChIInChI=1S/C7H8O4/c1-4-5(8)11-3-7(4,2)6(9)10/h1,3H2,2H3,(H,9,10)
InChIKeyUVJYVHCEZRZXCR-UHFFFAOYSA-N
XLogP0.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid (CID 143515244) is 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid is C=C1C(=O)OCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid?
The InChIKey is UVJYVHCEZRZXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-4-5(8)11-3-7(4,2)6(9)10/h1,3H2,2H3,(H,9,10).
What are the key properties of 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid?
3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-5-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 143515244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).