2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile

C9H17NO — CID 24972337

IUPAC2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-7(2)5-8(6-10)9(3,4)11/h7-8,11H,5H2,1-4H3
InChIKeyUJKXROBSAUYUFX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile

2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile (PubChem CID 24972337) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
PubChem CID24972337
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
SMILESCC(C)CC(C#N)C(C)(C)O
InChIInChI=1S/C9H17NO/c1-7(2)5-8(6-10)9(3,4)11/h7-8,11H,5H2,1-4H3
InChIKeyUJKXROBSAUYUFX-UHFFFAOYSA-N
XLogP1.94
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,4-dimethylpentanenitrile
CID 121493485
3-hydroxy-3-methyl-2-propylpentanenitrile
CID 79412188
N-(1-cyano-3-methylbutyl)-2,2-dimethylpropanamide
CID 82125860
(2S)-2-hydroxy-2,5-dimethylhexanenitrile
CID 71347470
2,4,6,8,10-pentamethylundecan-6-ol
CID 134857682
2-tert-butylbutanedinitrile
CID 12656168
2-ethyl-3-hydroxy-3-propylhexanenitrile
CID 114867109
2,7-dimethyloct-3-yne-2,5-diol
CID 102249503
3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
CID 79131246
2-cyano-3-hydroxy-3-methylpentanediamide
CID 54050427
2,3-dimethyl(213C)butan-2-ol
CID 100985919
2-(difluoromethyl)-4-methylpentanenitrile
CID 105429015

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile (CID 24972337) is 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile is CC(C)CC(C#N)C(C)(C)O.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile?
The InChIKey is UJKXROBSAUYUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)5-8(6-10)9(3,4)11/h7-8,11H,5H2,1-4H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile?
2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile has a molecular weight of 155.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile is sourced from PubChem (CID 24972337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).