5-methoxy-2-methylidene-5-oxopentanoic acid

C7H10O4 — CID 14691274

IUPAC5-methoxy-2-methylidene-5-oxopentanoic acid
SMILESC=C(CCC(=O)OC)C(=O)O
InChIInChI=1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10)
InChIKeyOKHGTVXZDNDAGT-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.58
Rot. Bonds4

About 5-methoxy-2-methylidene-5-oxopentanoic acid

5-methoxy-2-methylidene-5-oxopentanoic acid (PubChem CID 14691274) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 5-methoxy-2-methylidene-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-methylidene-5-oxopentanoic acid
PubChem CID14691274
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name5-methoxy-2-methylidene-5-oxopentanoic acid
SMILESC=C(CCC(=O)OC)C(=O)O
InChIInChI=1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10)
InChIKeyOKHGTVXZDNDAGT-UHFFFAOYSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.58
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 5-methoxy-2-methylidene-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-methylidene-5-oxopentanoic acid (CID 14691274) is 5-methoxy-2-methylidene-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-methylidene-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-methylidene-5-oxopentanoic acid is C=C(CCC(=O)OC)C(=O)O.
What is the InChIKey of 5-methoxy-2-methylidene-5-oxopentanoic acid?
The InChIKey is OKHGTVXZDNDAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(7(9)10)3-4-6(8)11-2/h1,3-4H2,2H3,(H,9,10).
What are the key properties of 5-methoxy-2-methylidene-5-oxopentanoic acid?
5-methoxy-2-methylidene-5-oxopentanoic acid has a molecular weight of 158.15 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylidene-5-oxopentanoic acid is sourced from PubChem (CID 14691274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).