4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one

C9H12O4 — CID 54430177

IUPAC4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1COC=CC
InChIInChI=1S/C9H12O4/c1-3-5-11-6-8-7(4-2)12-9(10)13-8/h3-5,7-8H,2,6H2,1H3
InChIKeyWGXXNTQSINYAIY-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.63
Rot. Bonds4

About 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one

4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one (PubChem CID 54430177) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
PubChem CID54430177
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1COC=CC
InChIInChI=1S/C9H12O4/c1-3-5-11-6-8-7(4-2)12-9(10)13-8/h3-5,7-8H,2,6H2,1H3
InChIKeyWGXXNTQSINYAIY-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one (CID 54430177) is 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one is C=CC1OC(=O)OC1COC=CC.
What is the InChIKey of 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is WGXXNTQSINYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-5-11-6-8-7(4-2)12-9(10)13-8/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one?
4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(prop-1-enoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 54430177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).