prop-2-enoyloxycarbonyl prop-2-enoate

C7H6O5 — CID 54148783

IUPACprop-2-enoyloxycarbonyl prop-2-enoate
SMILESC=CC(=O)OC(=O)OC(=O)C=C
InChIInChI=1S/C7H6O5/c1-3-5(8)11-7(10)12-6(9)4-2/h3-4H,1-2H2
InChIKeyOGGMARVIJLWYIU-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.56
Rot. Bonds2

About prop-2-enoyloxycarbonyl prop-2-enoate

prop-2-enoyloxycarbonyl prop-2-enoate (PubChem CID 54148783) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is prop-2-enoyloxycarbonyl prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyloxycarbonyl prop-2-enoate
PubChem CID54148783
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Nameprop-2-enoyloxycarbonyl prop-2-enoate
SMILESC=CC(=O)OC(=O)OC(=O)C=C
InChIInChI=1S/C7H6O5/c1-3-5(8)11-7(10)12-6(9)4-2/h3-4H,1-2H2
InChIKeyOGGMARVIJLWYIU-UHFFFAOYSA-N
XLogP0.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoyloxycarbonyl prop-2-enoate?
The IUPAC name of prop-2-enoyloxycarbonyl prop-2-enoate (CID 54148783) is prop-2-enoyloxycarbonyl prop-2-enoate.
What is the SMILES notation for prop-2-enoyloxycarbonyl prop-2-enoate?
The canonical SMILES for prop-2-enoyloxycarbonyl prop-2-enoate is C=CC(=O)OC(=O)OC(=O)C=C.
What is the InChIKey of prop-2-enoyloxycarbonyl prop-2-enoate?
The InChIKey is OGGMARVIJLWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c1-3-5(8)11-7(10)12-6(9)4-2/h3-4H,1-2H2.
What are the key properties of prop-2-enoyloxycarbonyl prop-2-enoate?
prop-2-enoyloxycarbonyl prop-2-enoate has a molecular weight of 170.12 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyloxycarbonyl prop-2-enoate is sourced from PubChem (CID 54148783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).