(2R)-2-hydroxy-2,3-dimethylbutanenitrile

C6H11NO — CID 12650901

IUPAC(2R)-2-hydroxy-2,3-dimethylbutanenitrile
SMILESCC(C)[C@@](C)(O)C#N
InChIInChI=1S/C6H11NO/c1-5(2)6(3,8)4-7/h5,8H,1-3H3/t6-/m0/s1
InChIKeyQCKRFEBWZBKGTR-LURJTMIESA-N
MW113.16 g/mol
LogP0.92
Rot. Bonds1

About (2R)-2-hydroxy-2,3-dimethylbutanenitrile

(2R)-2-hydroxy-2,3-dimethylbutanenitrile (PubChem CID 12650901) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2R)-2-hydroxy-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-hydroxy-2,3-dimethylbutanenitrile
PubChem CID12650901
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2R)-2-hydroxy-2,3-dimethylbutanenitrile
SMILESCC(C)[C@@](C)(O)C#N
InChIInChI=1S/C6H11NO/c1-5(2)6(3,8)4-7/h5,8H,1-3H3/t6-/m0/s1
InChIKeyQCKRFEBWZBKGTR-LURJTMIESA-N
XLogP0.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-2-methylbutyronitrile
CID 97823
(2R)-2-Hydroxy-2-methylbutanenitrile
CID 12650900
2-Ethyl-2-hydroxybutyronitrile
CID 36832
3-Hydroxy-3-methylbutanenitrile
CID 4568795
(2S)-2-Hydroxy-2,4-dimethylpentanenitrile
CID 10997045
2-Hydroxy-2-methylbutyronitrile, (S)-
CID 49859714
(S)-2-hydroxy-2,3,3-trimethylbutanenitrile
CID 54189769
2-Hydroxy-2,3-dimethylbutanenitrile
CID 219601
(S)-2-Hydroxy-2,3-dimethylbutanenitrile
CID 5326933
3-Hydroxy-2,2,3-trimethylbutanenitrile
CID 12493201
(3R)-3-Hydroxy-3-methylpentanenitrile
CID 71426517
(3S)-3-hydroxy-3-methylpentanenitrile
CID 96004187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2,3-dimethylbutanenitrile?
The IUPAC name of (2R)-2-hydroxy-2,3-dimethylbutanenitrile (CID 12650901) is (2R)-2-hydroxy-2,3-dimethylbutanenitrile.
What is the SMILES notation for (2R)-2-hydroxy-2,3-dimethylbutanenitrile?
The canonical SMILES for (2R)-2-hydroxy-2,3-dimethylbutanenitrile is CC(C)[C@@](C)(O)C#N.
What is the InChIKey of (2R)-2-hydroxy-2,3-dimethylbutanenitrile?
The InChIKey is QCKRFEBWZBKGTR-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)6(3,8)4-7/h5,8H,1-3H3/t6-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2,3-dimethylbutanenitrile?
(2R)-2-hydroxy-2,3-dimethylbutanenitrile has a molecular weight of 113.16 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2,3-dimethylbutanenitrile is sourced from PubChem (CID 12650901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).