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

C8H14O6 — CID 135304393

IUPACethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(=O)OC
InChIInChI=1S/C4H6O3.C4H8O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyRCDSGRIETNCXGP-UHFFFAOYSA-N
MW206.19 g/mol
LogP1.33
Rot. Bonds1

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

ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one (PubChem CID 135304393) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Nameethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
PubChem CID135304393
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Nameethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOC(=O)OC
InChIInChI=1S/C4H6O3.C4H8O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyRCDSGRIETNCXGP-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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Related Compounds

dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one;oxolan-2-one
CID 174573049
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
dimethyl carbonate;4-ethyl-1,3-dioxolan-2-one
CID 174821421
formamide;4-methyl-1,3-dioxolan-2-one
CID 157162326
4-methyl-1,3-dioxolan-2-one;tetraethylazanium;fluoride
CID 21289642
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
hexane-1,1,1-triol;4-methyl-1,3-dioxolan-2-one
CID 160655445
1-(1-hydroxyethylsulfanyl)ethanol;4-methyl-1,3-dioxolan-2-one
CID 174868758

Frequently Asked Questions

What is the IUPAC name of ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one (CID 135304393) is ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.CCOC(=O)OC.
What is the InChIKey of ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
The InChIKey is RCDSGRIETNCXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C4H8O3/c1-3-2-6-4(5)7-3;1-3-7-4(5)6-2/h3H,2H2,1H3;3H2,1-2H3.
What are the key properties of ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one?
ethyl methyl carbonate;4-methyl-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 ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 135304393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).