prop-2-enoyloxymethyl prop-2-enoate

C7H8O4 — CID 15918993

IUPACprop-2-enoyloxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(=O)C=C
InChIInChI=1S/C7H8O4/c1-3-6(8)10-5-11-7(9)4-2/h3-4H,1-2,5H2
InChIKeyUQMZDGOZAWEVRF-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.40
Rot. Bonds4

About prop-2-enoyloxymethyl prop-2-enoate

prop-2-enoyloxymethyl prop-2-enoate (PubChem CID 15918993) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is prop-2-enoyloxymethyl prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyloxymethyl prop-2-enoate
PubChem CID15918993
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Nameprop-2-enoyloxymethyl prop-2-enoate
SMILESC=CC(=O)OCOC(=O)C=C
InChIInChI=1S/C7H8O4/c1-3-6(8)10-5-11-7(9)4-2/h3-4H,1-2,5H2
InChIKeyUQMZDGOZAWEVRF-UHFFFAOYSA-N
XLogP0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of prop-2-enoyloxymethyl prop-2-enoate?
The IUPAC name of prop-2-enoyloxymethyl prop-2-enoate (CID 15918993) is prop-2-enoyloxymethyl prop-2-enoate.
What is the SMILES notation for prop-2-enoyloxymethyl prop-2-enoate?
The canonical SMILES for prop-2-enoyloxymethyl prop-2-enoate is C=CC(=O)OCOC(=O)C=C.
What is the InChIKey of prop-2-enoyloxymethyl prop-2-enoate?
The InChIKey is UQMZDGOZAWEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-3-6(8)10-5-11-7(9)4-2/h3-4H,1-2,5H2.
What are the key properties of prop-2-enoyloxymethyl prop-2-enoate?
prop-2-enoyloxymethyl prop-2-enoate has a molecular weight of 156.14 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyloxymethyl prop-2-enoate is sourced from PubChem (CID 15918993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).