4-prop-2-enoxy-1,3-dioxol-2-one

C6H6O4 — CID 21431671

IUPAC4-prop-2-enoxy-1,3-dioxol-2-one
SMILESC=CCOc1coc(=O)o1
InChIInChI=1S/C6H6O4/c1-2-3-8-5-4-9-6(7)10-5/h2,4H,1,3H2
InChIKeyXBHYIDWOJPHOHG-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.80
Rot. Bonds3

About 4-prop-2-enoxy-1,3-dioxol-2-one

4-prop-2-enoxy-1,3-dioxol-2-one (PubChem CID 21431671) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-prop-2-enoxy-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-prop-2-enoxy-1,3-dioxol-2-one
PubChem CID21431671
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name4-prop-2-enoxy-1,3-dioxol-2-one
SMILESC=CCOc1coc(=O)o1
InChIInChI=1S/C6H6O4/c1-2-3-8-5-4-9-6(7)10-5/h2,4H,1,3H2
InChIKeyXBHYIDWOJPHOHG-UHFFFAOYSA-N
XLogP0.80
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-1,3-dioxol-2-one?
The IUPAC name of 4-prop-2-enoxy-1,3-dioxol-2-one (CID 21431671) is 4-prop-2-enoxy-1,3-dioxol-2-one.
What is the SMILES notation for 4-prop-2-enoxy-1,3-dioxol-2-one?
The canonical SMILES for 4-prop-2-enoxy-1,3-dioxol-2-one is C=CCOc1coc(=O)o1.
What is the InChIKey of 4-prop-2-enoxy-1,3-dioxol-2-one?
The InChIKey is XBHYIDWOJPHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-2-3-8-5-4-9-6(7)10-5/h2,4H,1,3H2.
What are the key properties of 4-prop-2-enoxy-1,3-dioxol-2-one?
4-prop-2-enoxy-1,3-dioxol-2-one has a molecular weight of 142.11 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-1,3-dioxol-2-one is sourced from PubChem (CID 21431671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).