(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile

C11H19NO2 — CID 11008887

IUPAC(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile
SMILESCC(C)[C@@H](O)[C@@H]1CCC[C@@](C)(C#N)O1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)9-5-4-6-11(3,7-12)14-9/h8-10,13H,4-6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeySGUYOXYGBKKSSI-AXFHLTTASA-N
MW197.28 g/mol
LogP1.85
Rot. Bonds2

About (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile

(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile (PubChem CID 11008887) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile.

Molecular Properties

Compound Name(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile
PubChem CID11008887
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile
SMILESCC(C)[C@@H](O)[C@@H]1CCC[C@@](C)(C#N)O1
InChIInChI=1S/C11H19NO2/c1-8(2)10(13)9-5-4-6-11(3,7-12)14-9/h8-10,13H,4-6H2,1-3H3/t9-,10+,11-/m0/s1
InChIKeySGUYOXYGBKKSSI-AXFHLTTASA-N
XLogP1.85
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410
2,6,6-trimethyloxane-2-carbonitrile
CID 4978181
1-hydroxy-2-propan-2-ylcyclopentane-1-carbonitrile
CID 45095912
(1S)-2-methyl-1-[(2S)-oxiran-2-yl]propan-1-ol
CID 12636241
1-(1,3-dihydroxybutyl)-2,2,6-trimethylcyclohexane-1-carbonitrile
CID 145161494
1-(1-hydroxyethyl)-4-methylcyclohexane-1-carbonitrile
CID 79133151
(2R)-1-(2,2-dimethylcyclopentyl)-2,3-dimethylbutan-1-ol
CID 143524779
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
1-(1-hydroxy-2,2-dimethylpropyl)-3-methylcyclopentane-1-carbonitrile
CID 79132598
2-(2-methyl-5-propan-2-yloxolan-2-yl)acetonitrile
CID 20574261
(1R,5R,7S)-5,7-dimethyl-7-propan-2-yl-6,8-dioxabicyclo[3.2.1]octane
CID 10976171
1-[cycloheptyl(hydroxy)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79128745

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile?
The IUPAC name of (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile (CID 11008887) is (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile.
What is the SMILES notation for (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile?
The canonical SMILES for (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile is CC(C)[C@@H](O)[C@@H]1CCC[C@@](C)(C#N)O1.
What is the InChIKey of (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile?
The InChIKey is SGUYOXYGBKKSSI-AXFHLTTASA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)10(13)9-5-4-6-11(3,7-12)14-9/h8-10,13H,4-6H2,1-3H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile?
(2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-[(1R)-1-hydroxy-2-methylpropyl]-2-methyloxane-2-carbonitrile is sourced from PubChem (CID 11008887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).