dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one

C8H14O6 — CID 174821421

IUPACdimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
SMILESCCC1COC(=O)O1.COC(=O)OC
InChIInChI=1S/C5H8O3.C3H6O3/c1-2-4-3-7-5(6)8-4;1-5-3(4)6-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFFGBUEMXMPRGJC-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.33
Rot. Bonds1

About dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one

dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one (PubChem CID 174821421) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Namedimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
PubChem CID174821421
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Namedimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
SMILESCCC1COC(=O)O1.COC(=O)OC
InChIInChI=1S/C5H8O3.C3H6O3/c1-2-4-3-7-5(6)8-4;1-5-3(4)6-2/h4H,2-3H2,1H3;1-2H3
InChIKeyFFGBUEMXMPRGJC-UHFFFAOYSA-N
XLogP1.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one?
The IUPAC name of dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one (CID 174821421) is dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one.
What is the SMILES notation for dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one?
The canonical SMILES for dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one is CCC1COC(=O)O1.COC(=O)OC.
What is the InChIKey of dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one?
The InChIKey is FFGBUEMXMPRGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C3H6O3/c1-2-4-3-7-5(6)8-4;1-5-3(4)6-2/h4H,2-3H2,1H3;1-2H3.
What are the key properties of dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one?
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one has a molecular weight of 206.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 174821421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).