(2R)-2-cyclohexyl-2-hydroxyacetonitrile

C8H13NO — CID 10887989

IUPAC(2R)-2-cyclohexyl-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1CCCCC1
InChIInChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1
InChIKeyJLNKJTJSIQKWEU-QMMMGPOBSA-N
MW139.20 g/mol
LogP1.45
Rot. Bonds1

About (2R)-2-cyclohexyl-2-hydroxyacetonitrile

(2R)-2-cyclohexyl-2-hydroxyacetonitrile (PubChem CID 10887989) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-hydroxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-hydroxyacetonitrile
PubChem CID10887989
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2R)-2-cyclohexyl-2-hydroxyacetonitrile
SMILESN#C[C@H](O)C1CCCCC1
InChIInChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1
InChIKeyJLNKJTJSIQKWEU-QMMMGPOBSA-N
XLogP1.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.45
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

rac-(1R,2S)-2-hydroxycyclohexane-1-carbonitrile
CID 2724649
Cyclohexaneacetonitrile, 2-hydroxy-, trans-
CID 181068
(S)-2-Hydroxy-2-cyclohexylacetonitrile
CID 10080477
2-Hydroxycyclohexanecarbonitrile
CID 543100
rac-(1R,2S)-2-hydroxycyclooctane-1-carbonitrile
CID 101105228
4-Hydroxycyclohexanecarbonitrile
CID 12617272
4-(Hydroxymethyl)cyclohexane-1-carbonitrile
CID 13548136
3-Hydroxycyclohexane-1-carbonitrile
CID 22743809
3-Cyclopentyl-3-hydroxypropanenitrile
CID 70370525
(1R,2S)-2-Hydroxycyclohexanecarbonitrile
CID 10975486
Ctk2H4984
CID 11263500
3-Cyclohexyl-3-hydroxypropanenitrile
CID 11789410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-hydroxyacetonitrile?
The IUPAC name of (2R)-2-cyclohexyl-2-hydroxyacetonitrile (CID 10887989) is (2R)-2-cyclohexyl-2-hydroxyacetonitrile.
What is the SMILES notation for (2R)-2-cyclohexyl-2-hydroxyacetonitrile?
The canonical SMILES for (2R)-2-cyclohexyl-2-hydroxyacetonitrile is N#C[C@H](O)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-hydroxyacetonitrile?
The InChIKey is JLNKJTJSIQKWEU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-5H2/t8-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-hydroxyacetonitrile?
(2R)-2-cyclohexyl-2-hydroxyacetonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-hydroxyacetonitrile is sourced from PubChem (CID 10887989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).