ethanol;methoxyethane

C5H14O2 — CID 91068027

IUPACethanol;methoxyethane
SMILESCCO.CCOC
InChIInChI=1S/C3H8O.C2H6O/c1-3-4-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyIUNWLDZPFZRBOF-UHFFFAOYSA-N
MW106.16 g/mol
LogP0.65
Rot. Bonds1

About ethanol;methoxyethane

ethanol;methoxyethane (PubChem CID 91068027) has the molecular formula C5H14O2 and a molecular weight of 106.16 g/mol. Its IUPAC name is ethanol;methoxyethane.

Molecular Properties

Compound Nameethanol;methoxyethane
PubChem CID91068027
Molecular FormulaC5H14O2
Molecular Weight106.16 g/mol
Exact Mass106.10
IUPAC Nameethanol;methoxyethane
SMILESCCO.CCOC
InChIInChI=1S/C3H8O.C2H6O/c1-3-4-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3
InChIKeyIUNWLDZPFZRBOF-UHFFFAOYSA-N
XLogP0.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;methoxyethane?
The IUPAC name of ethanol;methoxyethane (CID 91068027) is ethanol;methoxyethane.
What is the SMILES notation for ethanol;methoxyethane?
The canonical SMILES for ethanol;methoxyethane is CCO.CCOC.
What is the InChIKey of ethanol;methoxyethane?
The InChIKey is IUNWLDZPFZRBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6O/c1-3-4-2;1-2-3/h3H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;methoxyethane?
ethanol;methoxyethane has a molecular weight of 106.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methoxyethane is sourced from PubChem (CID 91068027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).