1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one

C8H8O6 — CID 158046624

IUPAC1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1COC(=O)O1.O=c1occo1
InChIInChI=1S/C5H6O3.C3H2O3/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3/h2,4H,1,3H2;1-2H
InChIKeyFIZJODHUAAISRG-UHFFFAOYSA-N
MW200.15 g/mol
LogP0.94
Rot. Bonds1

About 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one

1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one (PubChem CID 158046624) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one
PubChem CID158046624
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Name1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one
SMILESC=CC1COC(=O)O1.O=c1occo1
InChIInChI=1S/C5H6O3.C3H2O3/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3/h2,4H,1,3H2;1-2H
InChIKeyFIZJODHUAAISRG-UHFFFAOYSA-N
XLogP0.94
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolan-2-one, 4-ethenyl-
CID 2735038
(S)-4-Ethenyl-1,3-dioxolan-2-one
CID 6951171
(4R)-4-ethenyl-1,3-dioxolan-2-one
CID 2735039
4,5-Divinyl-1,3-dioxolan-2-one
CID 11651165
(2-Oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
CID 12865910
4-Ethenyl-5-methylidene-1,3-dioxolan-2-one
CID 89425105
(4S,5R)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
CID 11491946
(4S,5S)-4,5-bis(ethenyl)-1,3-dioxolan-2-one
CID 101454011
1-Methoxycarbonyloxybut-3-en-2-yl methyl carbonate
CID 10822039
4-Ethenyl-2-methylidene-1,3-dioxolane
CID 15728276
(4-Ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
CID 18353913
(5-Ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate
CID 18353915

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one?
The IUPAC name of 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one (CID 158046624) is 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one.
What is the SMILES notation for 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one?
The canonical SMILES for 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one is C=CC1COC(=O)O1.O=c1occo1.
What is the InChIKey of 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one?
The InChIKey is FIZJODHUAAISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C3H2O3/c1-2-4-3-7-5(6)8-4;4-3-5-1-2-6-3/h2,4H,1,3H2;1-2H.
What are the key properties of 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one?
1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one has a molecular weight of 200.15 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxol-2-one;4-ethenyl-1,3-dioxolan-2-one is sourced from PubChem (CID 158046624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).