ethane;ethanol;methanol;methoxymethane

C12H40O7 — CID 5287428

IUPACethane;ethanol;methanol;methoxymethane
SMILESCC.CCO.CCO.CO.CO.CO.CO.COC
InChIInChI=1S/3C2H6O.C2H6.4CH4O/c1-3-2;2*1-2-3;5*1-2/h1-2H3;2*3H,2H2,1H3;1-2H3;4*2H,1H3
InChIKeyNEKPUPYOCNYQHU-UHFFFAOYSA-N
MW296.44 g/mol
LogP-0.28
Rot. Bonds

About ethane;ethanol;methanol;methoxymethane

ethane;ethanol;methanol;methoxymethane (PubChem CID 5287428) has the molecular formula C12H40O7 and a molecular weight of 296.44 g/mol. Its IUPAC name is ethane;ethanol;methanol;methoxymethane.

Molecular Properties

Compound Nameethane;ethanol;methanol;methoxymethane
PubChem CID5287428
Molecular FormulaC12H40O7
Molecular Weight296.44 g/mol
Exact Mass296.28
IUPAC Nameethane;ethanol;methanol;methoxymethane
SMILESCC.CCO.CCO.CO.CO.CO.CO.COC
InChIInChI=1S/3C2H6O.C2H6.4CH4O/c1-3-2;2*1-2-3;5*1-2/h1-2H3;2*3H,2H2,1H3;1-2H3;4*2H,1H3
InChIKeyNEKPUPYOCNYQHU-UHFFFAOYSA-N
XLogP-0.28
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 5-0.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;methanol;methoxymethane?
The IUPAC name of ethane;ethanol;methanol;methoxymethane (CID 5287428) is ethane;ethanol;methanol;methoxymethane.
What is the SMILES notation for ethane;ethanol;methanol;methoxymethane?
The canonical SMILES for ethane;ethanol;methanol;methoxymethane is CC.CCO.CCO.CO.CO.CO.CO.COC.
What is the InChIKey of ethane;ethanol;methanol;methoxymethane?
The InChIKey is NEKPUPYOCNYQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O.C2H6.4CH4O/c1-3-2;2*1-2-3;5*1-2/h1-2H3;2*3H,2H2,1H3;1-2H3;4*2H,1H3.
What are the key properties of ethane;ethanol;methanol;methoxymethane?
ethane;ethanol;methanol;methoxymethane has a molecular weight of 296.44 g/mol, XLogP of -0.28, 0 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;methanol;methoxymethane is sourced from PubChem (CID 5287428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).