2-methoxy-2-methylbutanenitrile

C6H11NO — CID 66073187

IUPAC2-methoxy-2-methylbutanenitrile
SMILESCCC(C)(C#N)OC
InChIInChI=1S/C6H11NO/c1-4-6(2,5-7)8-3/h4H2,1-3H3
InChIKeyNLLQZBUBGKURMJ-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.33
Rot. Bonds2

About 2-methoxy-2-methylbutanenitrile

2-methoxy-2-methylbutanenitrile (PubChem CID 66073187) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methoxy-2-methylbutanenitrile.

Molecular Properties

Compound Name2-methoxy-2-methylbutanenitrile
PubChem CID66073187
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methoxy-2-methylbutanenitrile
SMILESCCC(C)(C#N)OC
InChIInChI=1S/C6H11NO/c1-4-6(2,5-7)8-3/h4H2,1-3H3
InChIKeyNLLQZBUBGKURMJ-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-2-methylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-2-methylpropanenitrile
CID 12578534
3-(Tert-butoxy)propanenitrile
CID 2760948
1-Methoxycyclobutane-1-carbonitrile
CID 66071122
1-Methoxycyclopropane-1-carbonitrile
CID 103439991
2-(1-Methoxycyclopropyl)acetonitrile
CID 146049032
2-Methoxy-2-methylpentanenitrile
CID 66070291
1,2,3-(Tris-cyanoethoxy) propane
CID 87462461
2-Ethoxy-2-methylpropanenitrile
CID 12578535
2-Methyl-2-propoxypropanenitrile
CID 12578536
2-Ethyl-2-methoxybutanenitrile
CID 13099195
3-Methoxy-3-methylbutanenitrile
CID 14880677
2-Methoxy-2,3-dimethylbutanenitrile
CID 15495968

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylbutanenitrile?
The IUPAC name of 2-methoxy-2-methylbutanenitrile (CID 66073187) is 2-methoxy-2-methylbutanenitrile.
What is the SMILES notation for 2-methoxy-2-methylbutanenitrile?
The canonical SMILES for 2-methoxy-2-methylbutanenitrile is CCC(C)(C#N)OC.
What is the InChIKey of 2-methoxy-2-methylbutanenitrile?
The InChIKey is NLLQZBUBGKURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(2,5-7)8-3/h4H2,1-3H3.
What are the key properties of 2-methoxy-2-methylbutanenitrile?
2-methoxy-2-methylbutanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylbutanenitrile is sourced from PubChem (CID 66073187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).