ethyl methyl carbonate

C4H8O3 — CID 522046

IUPACethyl methyl carbonate
SMILESCCOC(=O)OC
InChIInChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
InChIKeyJBTWLSYIZRCDFO-UHFFFAOYSA-N
MW104.10 g/mol
LogP0.79
Rot. Bonds1

About ethyl methyl carbonate

ethyl methyl carbonate (PubChem CID 522046) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is ethyl methyl carbonate.

Molecular Properties

Compound Nameethyl methyl carbonate
PubChem CID522046
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Nameethyl methyl carbonate
SMILESCCOC(=O)OC
InChIInChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3
InChIKeyJBTWLSYIZRCDFO-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl methyl carbonate?
The IUPAC name of ethyl methyl carbonate (CID 522046) is ethyl methyl carbonate.
What is the SMILES notation for ethyl methyl carbonate?
The canonical SMILES for ethyl methyl carbonate is CCOC(=O)OC.
What is the InChIKey of ethyl methyl carbonate?
The InChIKey is JBTWLSYIZRCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-3-7-4(5)6-2/h3H2,1-2H3.
What are the key properties of ethyl methyl carbonate?
ethyl methyl carbonate has a molecular weight of 104.10 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methyl carbonate is sourced from PubChem (CID 522046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).