2-(hydroxymethyl)-2-methoxybutanenitrile

C6H11NO2 — CID 123789746

IUPAC2-(hydroxymethyl)-2-methoxybutanenitrile
SMILESCCC(C#N)(CO)OC
InChIInChI=1S/C6H11NO2/c1-3-6(4-7,5-8)9-2/h8H,3,5H2,1-2H3
InChIKeyHXRQXLGZLAHXSO-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.30
Rot. Bonds3

About 2-(hydroxymethyl)-2-methoxybutanenitrile

2-(hydroxymethyl)-2-methoxybutanenitrile (PubChem CID 123789746) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-methoxybutanenitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-methoxybutanenitrile
PubChem CID123789746
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-(hydroxymethyl)-2-methoxybutanenitrile
SMILESCCC(C#N)(CO)OC
InChIInChI=1S/C6H11NO2/c1-3-6(4-7,5-8)9-2/h8H,3,5H2,1-2H3
InChIKeyHXRQXLGZLAHXSO-UHFFFAOYSA-N
XLogP0.30
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methoxyhexanenitrile
CID 15495966
2-amino-2-(hydroxymethyl)butanenitrile
CID 122662800
5-ethyl-2,5-dimethoxy-2-methylhept-3-yne
CID 89177338
2,2,2-trimethoxyethanol;zirconium
CID 87320991
2-methoxybutane-1,2-diol
CID 88761953
2-ethyl-2-(hydroxymethyl)pentanenitrile
CID 139697217
3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile
CID 24976134
2,2-diethoxy-2-methoxyacetonitrile
CID 173433475
2-(2-hydroxyethoxy)-2-methylbutanenitrile
CID 103376048
(2R)-2-formyl-3-hydroxy-2-methylpropanenitrile
CID 102204106
2,2-dimethoxy-3-methylbutan-1-ol
CID 57218658
5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2,2-dimethylpentanenitrile
CID 107865253

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-methoxybutanenitrile?
The IUPAC name of 2-(hydroxymethyl)-2-methoxybutanenitrile (CID 123789746) is 2-(hydroxymethyl)-2-methoxybutanenitrile.
What is the SMILES notation for 2-(hydroxymethyl)-2-methoxybutanenitrile?
The canonical SMILES for 2-(hydroxymethyl)-2-methoxybutanenitrile is CCC(C#N)(CO)OC.
What is the InChIKey of 2-(hydroxymethyl)-2-methoxybutanenitrile?
The InChIKey is HXRQXLGZLAHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-6(4-7,5-8)9-2/h8H,3,5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-2-methoxybutanenitrile?
2-(hydroxymethyl)-2-methoxybutanenitrile has a molecular weight of 129.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-methoxybutanenitrile is sourced from PubChem (CID 123789746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).