3-hydroxy-3-methyl-2-propylpentanenitrile

C9H17NO — CID 79412188

IUPAC3-hydroxy-3-methyl-2-propylpentanenitrile
SMILESCCCC(C#N)C(C)(O)CC
InChIInChI=1S/C9H17NO/c1-4-6-8(7-10)9(3,11)5-2/h8,11H,4-6H2,1-3H3
InChIKeyFVLQGHPSIMZEBM-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.09
Rot. Bonds4

About 3-hydroxy-3-methyl-2-propylpentanenitrile

3-hydroxy-3-methyl-2-propylpentanenitrile (PubChem CID 79412188) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2-propylpentanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2-propylpentanenitrile
PubChem CID79412188
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-hydroxy-3-methyl-2-propylpentanenitrile
SMILESCCCC(C#N)C(C)(O)CC
InChIInChI=1S/C9H17NO/c1-4-6-8(7-10)9(3,11)5-2/h8,11H,4-6H2,1-3H3
InChIKeyFVLQGHPSIMZEBM-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
CID 114834992
2-[1-(2-fluorophenyl)-1-hydroxyethyl]pentanenitrile
CID 79411630
2-ethyl-3-hydroxy-3-propylhexanenitrile
CID 114867109
2-[1-(4-bromo-2-chlorophenyl)-1-hydroxyethyl]pentanenitrile
CID 82781123
(2S)-2-hydroxypentanenitrile
CID 12548639
2-(2-hydroxypropan-2-yl)-4-methylpentanenitrile
CID 24972337
3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
CID 79131246
3,4-dimethylnonane-3,7-diol
CID 175238278
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
2-ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
3-methyldodecane-3,4-diol
CID 103448703
3-methyloct-7-yne-3,4-diol
CID 103448564

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2-propylpentanenitrile?
The IUPAC name of 3-hydroxy-3-methyl-2-propylpentanenitrile (CID 79412188) is 3-hydroxy-3-methyl-2-propylpentanenitrile.
What is the SMILES notation for 3-hydroxy-3-methyl-2-propylpentanenitrile?
The canonical SMILES for 3-hydroxy-3-methyl-2-propylpentanenitrile is CCCC(C#N)C(C)(O)CC.
What is the InChIKey of 3-hydroxy-3-methyl-2-propylpentanenitrile?
The InChIKey is FVLQGHPSIMZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8(7-10)9(3,11)5-2/h8,11H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-3-methyl-2-propylpentanenitrile?
3-hydroxy-3-methyl-2-propylpentanenitrile has a molecular weight of 155.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2-propylpentanenitrile is sourced from PubChem (CID 79412188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).