2-ethoxy-2-methylpropanedinitrile

C6H8N2O — CID 87332304

IUPAC2-ethoxy-2-methylpropanedinitrile
SMILESCCOC(C)(C#N)C#N
InChIInChI=1S/C6H8N2O/c1-3-9-6(2,4-7)5-8/h3H2,1-2H3
InChIKeyXDJPSMITZADFEN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.83
Rot. Bonds2

About 2-ethoxy-2-methylpropanedinitrile

2-ethoxy-2-methylpropanedinitrile (PubChem CID 87332304) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-ethoxy-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-ethoxy-2-methylpropanedinitrile
PubChem CID87332304
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-ethoxy-2-methylpropanedinitrile
SMILESCCOC(C)(C#N)C#N
InChIInChI=1S/C6H8N2O/c1-3-9-6(2,4-7)5-8/h3H2,1-2H3
InChIKeyXDJPSMITZADFEN-UHFFFAOYSA-N
XLogP0.83
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methylpropanedinitrile?
The IUPAC name of 2-ethoxy-2-methylpropanedinitrile (CID 87332304) is 2-ethoxy-2-methylpropanedinitrile.
What is the SMILES notation for 2-ethoxy-2-methylpropanedinitrile?
The canonical SMILES for 2-ethoxy-2-methylpropanedinitrile is CCOC(C)(C#N)C#N.
What is the InChIKey of 2-ethoxy-2-methylpropanedinitrile?
The InChIKey is XDJPSMITZADFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-9-6(2,4-7)5-8/h3H2,1-2H3.
What are the key properties of 2-ethoxy-2-methylpropanedinitrile?
2-ethoxy-2-methylpropanedinitrile has a molecular weight of 124.14 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methylpropanedinitrile is sourced from PubChem (CID 87332304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).