1,3-dioxol-2-one;ethenyl acetate

C7H8O5 — CID 66777759

IUPAC1,3-dioxol-2-one;ethenyl acetate
SMILESC=COC(C)=O.O=c1occo1
InChIInChI=1S/C4H6O2.C3H2O3/c1-3-6-4(2)5;4-3-5-1-2-6-3/h3H,1H2,2H3;1-2H
InChIKeyGOCCKXAJVOKYJF-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.93
Rot. Bonds1

About 1,3-dioxol-2-one;ethenyl acetate

1,3-dioxol-2-one;ethenyl acetate (PubChem CID 66777759) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is 1,3-dioxol-2-one;ethenyl acetate.

Molecular Properties

Compound Name1,3-dioxol-2-one;ethenyl acetate
PubChem CID66777759
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name1,3-dioxol-2-one;ethenyl acetate
SMILESC=COC(C)=O.O=c1occo1
InChIInChI=1S/C4H6O2.C3H2O3/c1-3-6-4(2)5;4-3-5-1-2-6-3/h3H,1H2,2H3;1-2H
InChIKeyGOCCKXAJVOKYJF-UHFFFAOYSA-N
XLogP0.93
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-one;ethenyl acetate?
The IUPAC name of 1,3-dioxol-2-one;ethenyl acetate (CID 66777759) is 1,3-dioxol-2-one;ethenyl acetate.
What is the SMILES notation for 1,3-dioxol-2-one;ethenyl acetate?
The canonical SMILES for 1,3-dioxol-2-one;ethenyl acetate is C=COC(C)=O.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;ethenyl acetate?
The InChIKey is GOCCKXAJVOKYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H2O3/c1-3-6-4(2)5;4-3-5-1-2-6-3/h3H,1H2,2H3;1-2H.
What are the key properties of 1,3-dioxol-2-one;ethenyl acetate?
1,3-dioxol-2-one;ethenyl acetate has a molecular weight of 172.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-one;ethenyl acetate is sourced from PubChem (CID 66777759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).