2,4-dimethoxy-2-methylbutanenitrile

C7H13NO2 — CID 66072771

IUPAC2,4-dimethoxy-2-methylbutanenitrile
SMILESCOCCC(C)(C#N)OC
InChIInChI=1S/C7H13NO2/c1-7(6-8,10-3)4-5-9-2/h4-5H2,1-3H3
InChIKeyAHEDPHMCGJRJPJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.95
Rot. Bonds4

About 2,4-dimethoxy-2-methylbutanenitrile

2,4-dimethoxy-2-methylbutanenitrile (PubChem CID 66072771) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,4-dimethoxy-2-methylbutanenitrile.

Molecular Properties

Compound Name2,4-dimethoxy-2-methylbutanenitrile
PubChem CID66072771
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,4-dimethoxy-2-methylbutanenitrile
SMILESCOCCC(C)(C#N)OC
InChIInChI=1S/C7H13NO2/c1-7(6-8,10-3)4-5-9-2/h4-5H2,1-3H3
InChIKeyAHEDPHMCGJRJPJ-UHFFFAOYSA-N
XLogP0.95
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethoxy-2-methylpropanenitrile
CID 66070918
2-methoxy-2,5-dimethylhexanenitrile
CID 66071323
2-bromo-4-methoxy-2-methylbutanenitrile
CID 83090478
1,1,1,3-tetramethoxypropane
CID 10920853
2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butanenitrile;hydrazine
CID 159059543
2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
CID 174183391
ethane;1-methoxy-3,3-dimethylbutane
CID 143141249
N-(2-cyano-4-methoxybutan-2-yl)acetamide
CID 166604136
5-methoxy-2,2,5-trimethylhexanenitrile
CID 103017221
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
1,5-dimethoxy-3-methylpentan-3-amine
CID 114997128
tert-butyl N-(3-cyano-1,5-dimethoxypentan-3-yl)carbamate
CID 90052280

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-2-methylbutanenitrile?
The IUPAC name of 2,4-dimethoxy-2-methylbutanenitrile (CID 66072771) is 2,4-dimethoxy-2-methylbutanenitrile.
What is the SMILES notation for 2,4-dimethoxy-2-methylbutanenitrile?
The canonical SMILES for 2,4-dimethoxy-2-methylbutanenitrile is COCCC(C)(C#N)OC.
What is the InChIKey of 2,4-dimethoxy-2-methylbutanenitrile?
The InChIKey is AHEDPHMCGJRJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6-8,10-3)4-5-9-2/h4-5H2,1-3H3.
What are the key properties of 2,4-dimethoxy-2-methylbutanenitrile?
2,4-dimethoxy-2-methylbutanenitrile has a molecular weight of 143.19 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-2-methylbutanenitrile is sourced from PubChem (CID 66072771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).