2-prop-2-enoyloxyprop-2-enoic acid

C6H6O4 — CID 57160830

IUPAC2-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)OC(=C)C(=O)O
InChIInChI=1S/C6H6O4/c1-3-5(7)10-4(2)6(8)9/h3H,1-2H2,(H,8,9)
InChIKeyFYSPKARCDVNGFL-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.31
Rot. Bonds3

About 2-prop-2-enoyloxyprop-2-enoic acid

2-prop-2-enoyloxyprop-2-enoic acid (PubChem CID 57160830) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-prop-2-enoyloxyprop-2-enoic acid.

Molecular Properties

Compound Name2-prop-2-enoyloxyprop-2-enoic acid
PubChem CID57160830
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name2-prop-2-enoyloxyprop-2-enoic acid
SMILESC=CC(=O)OC(=C)C(=O)O
InChIInChI=1S/C6H6O4/c1-3-5(7)10-4(2)6(8)9/h3H,1-2H2,(H,8,9)
InChIKeyFYSPKARCDVNGFL-UHFFFAOYSA-N
XLogP0.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid
CID 161085591
1,2,2-trihydroxyethenyl prop-2-enoate
CID 140527484
tert-butyl 2-prop-2-enoyloxyprop-2-enoate
CID 141320515
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
CID 175833181
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] prop-2-enoate
CID 139618081
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
penta-1,4-dien-2-yl prop-2-enoate
CID 175556103
2-(2-methylprop-2-enoyloxy)-3-prop-2-enoyloxyprop-2-enoic acid
CID 154089155
acetyl prop-2-enoate;ethene
CID 157340658

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyprop-2-enoic acid?
The IUPAC name of 2-prop-2-enoyloxyprop-2-enoic acid (CID 57160830) is 2-prop-2-enoyloxyprop-2-enoic acid.
What is the SMILES notation for 2-prop-2-enoyloxyprop-2-enoic acid?
The canonical SMILES for 2-prop-2-enoyloxyprop-2-enoic acid is C=CC(=O)OC(=C)C(=O)O.
What is the InChIKey of 2-prop-2-enoyloxyprop-2-enoic acid?
The InChIKey is FYSPKARCDVNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-3-5(7)10-4(2)6(8)9/h3H,1-2H2,(H,8,9).
What are the key properties of 2-prop-2-enoyloxyprop-2-enoic acid?
2-prop-2-enoyloxyprop-2-enoic acid has a molecular weight of 142.11 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyprop-2-enoic acid is sourced from PubChem (CID 57160830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).