ethanol;ethyl methyl carbonate

C6H14O4 — CID 161101393

IUPACethanol;ethyl methyl carbonate
SMILESCCO.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C2H6O/c1-3-7-4(5)6-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyUILXAFGEPVTJKG-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.79
Rot. Bonds1

About ethanol;ethyl methyl carbonate

ethanol;ethyl methyl carbonate (PubChem CID 161101393) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is ethanol;ethyl methyl carbonate.

Molecular Properties

Compound Nameethanol;ethyl methyl carbonate
PubChem CID161101393
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Nameethanol;ethyl methyl carbonate
SMILESCCO.CCOC(=O)OC
InChIInChI=1S/C4H8O3.C2H6O/c1-3-7-4(5)6-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyUILXAFGEPVTJKG-UHFFFAOYSA-N
XLogP0.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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amino ethyl carbonate;ethanol
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CID 87073597

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl methyl carbonate?
The IUPAC name of ethanol;ethyl methyl carbonate (CID 161101393) is ethanol;ethyl methyl carbonate.
What is the SMILES notation for ethanol;ethyl methyl carbonate?
The canonical SMILES for ethanol;ethyl methyl carbonate is CCO.CCOC(=O)OC.
What is the InChIKey of ethanol;ethyl methyl carbonate?
The InChIKey is UILXAFGEPVTJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C2H6O/c1-3-7-4(5)6-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl methyl carbonate?
ethanol;ethyl methyl carbonate has a molecular weight of 150.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl methyl carbonate is sourced from PubChem (CID 161101393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).