diethyl carbonate

C5H10O3 — CID 7766

IUPACdiethyl carbonate
SMILESCCOC(=O)OCC
InChIInChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChIKeyOIFBSDVPJOWBCH-UHFFFAOYSA-N
MW118.13 g/mol
LogP1.18
Rot. Bonds2

About diethyl carbonate

diethyl carbonate (PubChem CID 7766) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is diethyl carbonate.

Molecular Properties

Compound Namediethyl carbonate
PubChem CID7766
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Namediethyl carbonate
SMILESCCOC(=O)OCC
InChIInChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChIKeyOIFBSDVPJOWBCH-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diethyl carbonate?
The IUPAC name of diethyl carbonate (CID 7766) is diethyl carbonate.
What is the SMILES notation for diethyl carbonate?
The canonical SMILES for diethyl carbonate is CCOC(=O)OCC.
What is the InChIKey of diethyl carbonate?
The InChIKey is OIFBSDVPJOWBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3.
What are the key properties of diethyl carbonate?
diethyl carbonate has a molecular weight of 118.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate is sourced from PubChem (CID 7766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).