(2S)-2-hydroxy-2-methylpentanenitrile

C6H11NO — CID 11789168

IUPAC(2S)-2-hydroxy-2-methylpentanenitrile
SMILESCCC[C@](C)(O)C#N
InChIInChI=1S/C6H11NO/c1-3-4-6(2,8)5-7/h8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyDOTBWZRLSYDMSC-LURJTMIESA-N
MW113.16 g/mol
LogP1.06
Rot. Bonds2

About (2S)-2-hydroxy-2-methylpentanenitrile

(2S)-2-hydroxy-2-methylpentanenitrile (PubChem CID 11789168) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methylpentanenitrile
PubChem CID11789168
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2S)-2-hydroxy-2-methylpentanenitrile
SMILESCCC[C@](C)(O)C#N
InChIInChI=1S/C6H11NO/c1-3-4-6(2,8)5-7/h8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyDOTBWZRLSYDMSC-LURJTMIESA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methylpentanenitrile?
The IUPAC name of (2S)-2-hydroxy-2-methylpentanenitrile (CID 11789168) is (2S)-2-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for (2S)-2-hydroxy-2-methylpentanenitrile?
The canonical SMILES for (2S)-2-hydroxy-2-methylpentanenitrile is CCC[C@](C)(O)C#N.
What is the InChIKey of (2S)-2-hydroxy-2-methylpentanenitrile?
The InChIKey is DOTBWZRLSYDMSC-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-6(2,8)5-7/h8H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methylpentanenitrile?
(2S)-2-hydroxy-2-methylpentanenitrile has a molecular weight of 113.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 11789168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).