3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile

C7H13NO2 — CID 79131246

IUPAC3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
SMILESCOCC(C)(O)C(C)C#N
InChIInChI=1S/C7H13NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,5H2,1-3H3
InChIKeyUALTYIDEXAWYPY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.54
Rot. Bonds3

About 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile

3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile (PubChem CID 79131246) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
PubChem CID79131246
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
SMILESCOCC(C)(O)C(C)C#N
InChIInChI=1S/C7H13NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,5H2,1-3H3
InChIKeyUALTYIDEXAWYPY-UHFFFAOYSA-N
XLogP0.54
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,3-trimethoxy-2-methylpropan-2-ol
CID 79568106
4-amino-1-methoxy-2,3-dimethylbutan-2-ol
CID 79136033
4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile
CID 164645703
3-methoxy-2,2-bis(methoxymethyl)propanenitrile
CID 86219819
2,3,3-trimethylpentanedinitrile
CID 20521420
1-methoxy-2,6-dimethylheptan-2-ol
CID 83158619
(2R,3S)-3-cyano-2-hydroxy-2-methylbutanamide
CID 55284755
2,3-dimethoxy-2-methylpropanenitrile
CID 66070918
3-ethoxy-2-methylbutanenitrile
CID 14922695
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
2,3,3,4,4-pentamethylpentanenitrile
CID 130181937
3-hydroxy-3-methyl-2-propylpentanenitrile
CID 79412188

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile?
The IUPAC name of 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile (CID 79131246) is 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile.
What is the SMILES notation for 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile?
The canonical SMILES for 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile is COCC(C)(O)C(C)C#N.
What is the InChIKey of 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile?
The InChIKey is UALTYIDEXAWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,5H2,1-3H3.
What are the key properties of 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile?
3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile has a molecular weight of 143.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile is sourced from PubChem (CID 79131246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).