2-ethyl-2-(hydroxymethyl)pentanenitrile

C8H15NO — CID 139697217

IUPAC2-ethyl-2-(hydroxymethyl)pentanenitrile
SMILESCCCC(C#N)(CC)CO
InChIInChI=1S/C8H15NO/c1-3-5-8(4-2,6-9)7-10/h10H,3-5,7H2,1-2H3
InChIKeyHGXAEEQVBZDCFY-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.70
Rot. Bonds4

About 2-ethyl-2-(hydroxymethyl)pentanenitrile

2-ethyl-2-(hydroxymethyl)pentanenitrile (PubChem CID 139697217) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)pentanenitrile
PubChem CID139697217
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-2-(hydroxymethyl)pentanenitrile
SMILESCCCC(C#N)(CC)CO
InChIInChI=1S/C8H15NO/c1-3-5-8(4-2,6-9)7-10/h10H,3-5,7H2,1-2H3
InChIKeyHGXAEEQVBZDCFY-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-3-ethylhexanoic acid
CID 13260864
2-[(2-cyano-1-hydroxypentan-2-yl)diazenyl]-2-(hydroxymethyl)pentanenitrile
CID 22450834
ethane;2-ethyl-2-[(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]pentanenitrile
CID 144962793
2-ethyl-2,5,5-tris(prop-2-enyl)hexanedinitrile
CID 137470419
2-hydroxy-2-methylpentanenitrile
CID 10898680
3-bromo-3-ethyl-2-hydroxy-2-(hydroxymethyl)pentanenitrile
CID 24976134
2-amino-2-(hydroxymethyl)butanenitrile
CID 122662800
2-ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
2-(hydroxymethyl)-2-methoxybutanenitrile
CID 123789746
3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
(2-cyano-2-propyldodecyl)sulfanylmethanedithioic acid
CID 90214337

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)pentanenitrile?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)pentanenitrile (CID 139697217) is 2-ethyl-2-(hydroxymethyl)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)pentanenitrile is CCCC(C#N)(CC)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)pentanenitrile?
The InChIKey is HGXAEEQVBZDCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-8(4-2,6-9)7-10/h10H,3-5,7H2,1-2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)pentanenitrile?
2-ethyl-2-(hydroxymethyl)pentanenitrile has a molecular weight of 141.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)pentanenitrile is sourced from PubChem (CID 139697217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).