4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile

C12H21NO — CID 164645703

IUPAC4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile
SMILESCC(C#N)C(C)(O)CC1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(9-13)12(2,14)8-11-6-4-3-5-7-11/h10-11,14H,3-8H2,1-2H3
InChIKeyYKOVMZPRMRUQLG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.87
Rot. Bonds3

About 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile

4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile (PubChem CID 164645703) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile
PubChem CID164645703
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile
SMILESCC(C#N)C(C)(O)CC1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(9-13)12(2,14)8-11-6-4-3-5-7-11/h10-11,14H,3-8H2,1-2H3
InChIKeyYKOVMZPRMRUQLG-UHFFFAOYSA-N
XLogP2.87
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxycyclododecanecarbonitrile
CID 380691
Octanenitrile, 7-hydroxy-3,7-dimethyl-
CID 111369
2-(1-Hydroxycyclohexyl)-2-methylpropanenitrile
CID 12468656
(1R,2S,5R)-1-hydroxy-5-methyl-2-(propan-2-yl)cyclohexane-1-carbonitrile
CID 137943740
2-(1-Hydroxycyclohexyl)propanenitrile
CID 10057717
1-Hydroxy-2-methylcyclohexane-1-carbonitrile
CID 12743656
(3S)-3-cyclohexyl-3-hydroxybutanenitrile
CID 67506067
1'-Hydroxy-bicyclohexyl-1-carbonitrile
CID 11401510
Heptanenitrile, 3-hydroxy-2,3-dimethyl-
CID 11435066
(1S,2R,3S)-3-hydroxy-1,2,3-trimethylcyclohexane-1-carbonitrile
CID 11615239
2-Butyl-2-(1-hydroxycyclohexyl)hexanenitrile
CID 12024030
(1R,2S,3R)-3-hydroxy-2,3-dimethyl-1-propylcyclohexane-1-carbonitrile
CID 12188387

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile?
The IUPAC name of 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile (CID 164645703) is 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile.
What is the SMILES notation for 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile?
The canonical SMILES for 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile is CC(C#N)C(C)(O)CC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile?
The InChIKey is YKOVMZPRMRUQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(9-13)12(2,14)8-11-6-4-3-5-7-11/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile?
4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile has a molecular weight of 195.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-hydroxy-2,3-dimethylbutanenitrile is sourced from PubChem (CID 164645703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).