ethenyl methyl carbonate

C4H6O3 — CID 14122296

IUPACethenyl methyl carbonate
SMILESC=COC(=O)OC
InChIInChI=1S/C4H6O3/c1-3-7-4(5)6-2/h3H,1H2,2H3
InChIKeyNCHRDVARPJUMRC-UHFFFAOYSA-N
MW102.09 g/mol
LogP0.91
Rot. Bonds1

About ethenyl methyl carbonate

ethenyl methyl carbonate (PubChem CID 14122296) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is ethenyl methyl carbonate.

Molecular Properties

Compound Nameethenyl methyl carbonate
PubChem CID14122296
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Nameethenyl methyl carbonate
SMILESC=COC(=O)OC
InChIInChI=1S/C4H6O3/c1-3-7-4(5)6-2/h3H,1H2,2H3
InChIKeyNCHRDVARPJUMRC-UHFFFAOYSA-N
XLogP0.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethenyl methyl carbonate?
The IUPAC name of ethenyl methyl carbonate (CID 14122296) is ethenyl methyl carbonate.
What is the SMILES notation for ethenyl methyl carbonate?
The canonical SMILES for ethenyl methyl carbonate is C=COC(=O)OC.
What is the InChIKey of ethenyl methyl carbonate?
The InChIKey is NCHRDVARPJUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-3-7-4(5)6-2/h3H,1H2,2H3.
What are the key properties of ethenyl methyl carbonate?
ethenyl methyl carbonate has a molecular weight of 102.09 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl methyl carbonate is sourced from PubChem (CID 14122296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).