4-(methoxymethoxy)-4-oxobut-2-enoic acid

C6H8O5 — CID 54076670

IUPAC4-(methoxymethoxy)-4-oxobut-2-enoic acid
SMILESCOCOC(=O)C=CC(=O)O
InChIInChI=1S/C6H8O5/c1-10-4-11-6(9)3-2-5(7)8/h2-3H,4H2,1H3,(H,7,8)
InChIKeyMKEOEXBUIWJADI-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.23
Rot. Bonds4

About 4-(methoxymethoxy)-4-oxobut-2-enoic acid

4-(methoxymethoxy)-4-oxobut-2-enoic acid (PubChem CID 54076670) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 4-(methoxymethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name4-(methoxymethoxy)-4-oxobut-2-enoic acid
PubChem CID54076670
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name4-(methoxymethoxy)-4-oxobut-2-enoic acid
SMILESCOCOC(=O)C=CC(=O)O
InChIInChI=1S/C6H8O5/c1-10-4-11-6(9)3-2-5(7)8/h2-3H,4H2,1H3,(H,7,8)
InChIKeyMKEOEXBUIWJADI-UHFFFAOYSA-N
XLogP-0.23
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
(E)-4-[(Z)-4-methoxybut-2-enoxy]-4-oxobut-2-enoic acid
CID 90437728
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328
CID 87309385
CID 87309385
carbonic acid;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 175217874
sodium (E)-4-ethoxy-4-oxobut-2-enoic acid
CID 20838311
(Z)-4-ethoxy-4-oxobut-2-enoic acid;gadolinium
CID 175407847
but-2-enedioic acid;dimethyl but-2-enedioate
CID 160537834
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
CID 6446969

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of 4-(methoxymethoxy)-4-oxobut-2-enoic acid (CID 54076670) is 4-(methoxymethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for 4-(methoxymethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for 4-(methoxymethoxy)-4-oxobut-2-enoic acid is COCOC(=O)C=CC(=O)O.
What is the InChIKey of 4-(methoxymethoxy)-4-oxobut-2-enoic acid?
The InChIKey is MKEOEXBUIWJADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-10-4-11-6(9)3-2-5(7)8/h2-3H,4H2,1H3,(H,7,8).
What are the key properties of 4-(methoxymethoxy)-4-oxobut-2-enoic acid?
4-(methoxymethoxy)-4-oxobut-2-enoic acid has a molecular weight of 160.12 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 54076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).