2,3-dimethoxy-2-methylpropanenitrile

C6H11NO2 — CID 66070918

IUPAC2,3-dimethoxy-2-methylpropanenitrile
SMILESCOCC(C)(C#N)OC
InChIInChI=1S/C6H11NO2/c1-6(4-7,9-3)5-8-2/h5H2,1-3H3
InChIKeyKLINBRUOPSHUPP-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.56
Rot. Bonds3

About 2,3-dimethoxy-2-methylpropanenitrile

2,3-dimethoxy-2-methylpropanenitrile (PubChem CID 66070918) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2,3-dimethoxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2,3-dimethoxy-2-methylpropanenitrile
PubChem CID66070918
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2,3-dimethoxy-2-methylpropanenitrile
SMILESCOCC(C)(C#N)OC
InChIInChI=1S/C6H11NO2/c1-6(4-7,9-3)5-8-2/h5H2,1-3H3
InChIKeyKLINBRUOPSHUPP-UHFFFAOYSA-N
XLogP0.56
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-2-methylpropanenitrile?
The IUPAC name of 2,3-dimethoxy-2-methylpropanenitrile (CID 66070918) is 2,3-dimethoxy-2-methylpropanenitrile.
What is the SMILES notation for 2,3-dimethoxy-2-methylpropanenitrile?
The canonical SMILES for 2,3-dimethoxy-2-methylpropanenitrile is COCC(C)(C#N)OC.
What is the InChIKey of 2,3-dimethoxy-2-methylpropanenitrile?
The InChIKey is KLINBRUOPSHUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(4-7,9-3)5-8-2/h5H2,1-3H3.
What are the key properties of 2,3-dimethoxy-2-methylpropanenitrile?
2,3-dimethoxy-2-methylpropanenitrile has a molecular weight of 129.16 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-2-methylpropanenitrile is sourced from PubChem (CID 66070918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).