4-(prop-2-enoxymethyl)-1,3-dioxol-2-one

C7H8O4 — CID 54230514

IUPAC4-(prop-2-enoxymethyl)-1,3-dioxol-2-one
SMILESC=CCOCc1coc(=O)o1
InChIInChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5H,1,3-4H2
InChIKeyQIXJODOHNJWEJY-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.94
Rot. Bonds4

About 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one

4-(prop-2-enoxymethyl)-1,3-dioxol-2-one (PubChem CID 54230514) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-1,3-dioxol-2-one
PubChem CID54230514
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name4-(prop-2-enoxymethyl)-1,3-dioxol-2-one
SMILESC=CCOCc1coc(=O)o1
InChIInChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5H,1,3-4H2
InChIKeyQIXJODOHNJWEJY-UHFFFAOYSA-N
XLogP0.94
TPSA52.58 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 ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one (CID 54230514) is 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one is C=CCOCc1coc(=O)o1.
What is the InChIKey of 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one?
The InChIKey is QIXJODOHNJWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2,5H,1,3-4H2.
What are the key properties of 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one?
4-(prop-2-enoxymethyl)-1,3-dioxol-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 54230514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).