diethyl carbonate;1,3-dioxol-2-one

C8H12O6 — CID 159640812

IUPACdiethyl carbonate;1,3-dioxol-2-one
SMILESCCOC(=O)OCC.O=c1occo1
InChIInChI=1S/C5H10O3.C3H2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3/h3-4H2,1-2H3;1-2H
InChIKeyMQIIDKPZHBBOPV-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.41
Rot. Bonds2

About diethyl carbonate;1,3-dioxol-2-one

diethyl carbonate;1,3-dioxol-2-one (PubChem CID 159640812) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is diethyl carbonate;1,3-dioxol-2-one.

Molecular Properties

Compound Namediethyl carbonate;1,3-dioxol-2-one
PubChem CID159640812
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Namediethyl carbonate;1,3-dioxol-2-one
SMILESCCOC(=O)OCC.O=c1occo1
InChIInChI=1S/C5H10O3.C3H2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3/h3-4H2,1-2H3;1-2H
InChIKeyMQIIDKPZHBBOPV-UHFFFAOYSA-N
XLogP1.41
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;1,3-dioxol-2-one?
The IUPAC name of diethyl carbonate;1,3-dioxol-2-one (CID 159640812) is diethyl carbonate;1,3-dioxol-2-one.
What is the SMILES notation for diethyl carbonate;1,3-dioxol-2-one?
The canonical SMILES for diethyl carbonate;1,3-dioxol-2-one is CCOC(=O)OCC.O=c1occo1.
What is the InChIKey of diethyl carbonate;1,3-dioxol-2-one?
The InChIKey is MQIIDKPZHBBOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3/h3-4H2,1-2H3;1-2H.
What are the key properties of diethyl carbonate;1,3-dioxol-2-one?
diethyl carbonate;1,3-dioxol-2-one has a molecular weight of 204.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;1,3-dioxol-2-one is sourced from PubChem (CID 159640812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).