(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile

C9H17NO — CID 130978536

IUPAC(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
SMILESCC(O)C[C@](C)(C#N)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)9(4,6-10)5-8(3)11/h7-8,11H,5H2,1-4H3/t8?,9-/m1/s1
InChIKeyQISQGEUGUVKIOL-YGPZHTELSA-N
MW155.24 g/mol
LogP1.94
Rot. Bonds3

About (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile

(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile (PubChem CID 130978536) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
PubChem CID130978536
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile
SMILESCC(O)C[C@](C)(C#N)C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)9(4,6-10)5-8(3)11/h7-8,11H,5H2,1-4H3/t8?,9-/m1/s1
InChIKeyQISQGEUGUVKIOL-YGPZHTELSA-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,4S)-4-hydroxy-2-[(1R)-1-hydroxy-2-methylpropyl]-2,5,5-trimethylhexanenitrile
CID 139038009
(2S)-4,4,5-trimethylhexan-2-ol
CID 164734993
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
4-methylheptane-2,4,6-triol
CID 90439710
2-methylpentane-2,4-diol
CID 7870
(2R)-2-hydroxy-2,3-dimethylbutanenitrile
CID 12650901
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile;1-methoxypropan-2-ol
CID 172753622
(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 119025800
1,2,3-trimethylhexane-1,3,5-tricarbonitrile
CID 122418973
(3S)-3-hydroxy-2,2,5,5-tetramethylhexanedinitrile
CID 166777724
(2S,5S)-5-amino-4,4-dimethylhexan-2-ol
CID 97033653
2-methanidylpentane-2,4-diol;zirconium
CID 87932896

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile?
The IUPAC name of (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile (CID 130978536) is (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile.
What is the SMILES notation for (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile?
The canonical SMILES for (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile is CC(O)C[C@](C)(C#N)C(C)C.
What is the InChIKey of (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile?
The InChIKey is QISQGEUGUVKIOL-YGPZHTELSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(4,6-10)5-8(3)11/h7-8,11H,5H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile?
(2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile 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 (2S)-4-hydroxy-2-methyl-2-propan-2-ylpentanenitrile is sourced from PubChem (CID 130978536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).