diethyl carbonate;ethane-1,2-diol

C7H16O5 — CID 19764063

IUPACdiethyl carbonate;ethane-1,2-diol
SMILESCCOC(=O)OCC.OCCO
InChIInChI=1S/C5H10O3.C2H6O2/c1-3-7-5(6)8-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyPXSZGCRBWGSFBI-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.15
Rot. Bonds3

About diethyl carbonate;ethane-1,2-diol

diethyl carbonate;ethane-1,2-diol (PubChem CID 19764063) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is diethyl carbonate;ethane-1,2-diol.

Molecular Properties

Compound Namediethyl carbonate;ethane-1,2-diol
PubChem CID19764063
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Namediethyl carbonate;ethane-1,2-diol
SMILESCCOC(=O)OCC.OCCO
InChIInChI=1S/C5H10O3.C2H6O2/c1-3-7-5(6)8-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H,1-2H2
InChIKeyPXSZGCRBWGSFBI-UHFFFAOYSA-N
XLogP0.15
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;ethane-1,2-diol?
The IUPAC name of diethyl carbonate;ethane-1,2-diol (CID 19764063) is diethyl carbonate;ethane-1,2-diol.
What is the SMILES notation for diethyl carbonate;ethane-1,2-diol?
The canonical SMILES for diethyl carbonate;ethane-1,2-diol is CCOC(=O)OCC.OCCO.
What is the InChIKey of diethyl carbonate;ethane-1,2-diol?
The InChIKey is PXSZGCRBWGSFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H6O2/c1-3-7-5(6)8-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of diethyl carbonate;ethane-1,2-diol?
diethyl carbonate;ethane-1,2-diol has a molecular weight of 180.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;ethane-1,2-diol is sourced from PubChem (CID 19764063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).