(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate

C8H8O5 — CID 87813292

IUPAC(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate
SMILESC=CCc1oc(=O)oc1COC=O
InChIInChI=1S/C8H8O5/c1-2-3-6-7(4-11-5-9)13-8(10)12-6/h2,5H,1,3-4H2
InChIKeySZVXJGBBAXBLMZ-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.63
Rot. Bonds5

About (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate

(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate (PubChem CID 87813292) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate.

Molecular Properties

Compound Name(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate
PubChem CID87813292
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate
SMILESC=CCc1oc(=O)oc1COC=O
InChIInChI=1S/C8H8O5/c1-2-3-6-7(4-11-5-9)13-8(10)12-6/h2,5H,1,3-4H2
InChIKeySZVXJGBBAXBLMZ-UHFFFAOYSA-N
XLogP0.63
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
4-[(2-Oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methoxymethyl]-5-prop-2-enyl-1,3-dioxol-2-one
CID 69712949
[(6E)-5,8-dihydro-4H-1,3-dioxocin-5-yl] methyl carbonate
CID 90182575
(4E)-4-but-3-enylidene-1,3-dioxolan-2-one
CID 100927908
(4E)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
CID 100927911
(4Z)-4-but-3-enylidene-5-methyl-1,3-dioxolan-2-one
CID 100927912
5,8-dihydro-4H-1,3-dioxocin-5-yl methyl carbonate
CID 123660264
ethene;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159799122
1-(2-Oxo-1,3-dioxol-4-yl)but-3-enyl formate
CID 173165171
2-(1,3-Dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine
CID 174250812

Frequently Asked Questions

What is the IUPAC name of (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate?
The IUPAC name of (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate (CID 87813292) is (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate.
What is the SMILES notation for (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate?
The canonical SMILES for (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate is C=CCc1oc(=O)oc1COC=O.
What is the InChIKey of (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate?
The InChIKey is SZVXJGBBAXBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-2-3-6-7(4-11-5-9)13-8(10)12-6/h2,5H,1,3-4H2.
What are the key properties of (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate?
(2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate has a molecular weight of 184.15 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-5-prop-2-enyl-1,3-dioxol-4-yl)methyl formate is sourced from PubChem (CID 87813292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).