ethanol;methane;methoxyethane

C6H18O2 — CID 157365147

IUPACethanol;methane;methoxyethane
SMILESC.CCO.CCOC
InChIInChI=1S/C3H8O.C2H6O.CH4/c1-3-4-2;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H4
InChIKeyBJCAOCPAGZYWIE-UHFFFAOYSA-N
MW122.21 g/mol
LogP1.29
Rot. Bonds1

About ethanol;methane;methoxyethane

ethanol;methane;methoxyethane (PubChem CID 157365147) has the molecular formula C6H18O2 and a molecular weight of 122.21 g/mol. Its IUPAC name is ethanol;methane;methoxyethane.

Molecular Properties

Compound Nameethanol;methane;methoxyethane
PubChem CID157365147
Molecular FormulaC6H18O2
Molecular Weight122.21 g/mol
Exact Mass122.13
IUPAC Nameethanol;methane;methoxyethane
SMILESC.CCO.CCOC
InChIInChI=1S/C3H8O.C2H6O.CH4/c1-3-4-2;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H4
InChIKeyBJCAOCPAGZYWIE-UHFFFAOYSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;methane;methoxyethane?
The IUPAC name of ethanol;methane;methoxyethane (CID 157365147) is ethanol;methane;methoxyethane.
What is the SMILES notation for ethanol;methane;methoxyethane?
The canonical SMILES for ethanol;methane;methoxyethane is C.CCO.CCOC.
What is the InChIKey of ethanol;methane;methoxyethane?
The InChIKey is BJCAOCPAGZYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6O.CH4/c1-3-4-2;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H4.
What are the key properties of ethanol;methane;methoxyethane?
ethanol;methane;methoxyethane has a molecular weight of 122.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methane;methoxyethane is sourced from PubChem (CID 157365147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).