2-methyl-2-[(2R)-oxan-2-yl]propanenitrile

C9H15NO — CID 124670962

IUPAC2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
SMILESCC(C)(C#N)[C@H]1CCCCO1
InChIInChI=1S/C9H15NO/c1-9(2,7-10)8-5-3-4-6-11-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyVHNAEKCZFYSHTG-MRVPVSSYSA-N
MW153.22 g/mol
LogP2.11
Rot. Bonds1

About 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile

2-methyl-2-[(2R)-oxan-2-yl]propanenitrile (PubChem CID 124670962) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
PubChem CID124670962
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-2-[(2R)-oxan-2-yl]propanenitrile
SMILESCC(C)(C#N)[C@H]1CCCCO1
InChIInChI=1S/C9H15NO/c1-9(2,7-10)8-5-3-4-6-11-8/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyVHNAEKCZFYSHTG-MRVPVSSYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-tert-butyloxane
CID 118633229
2,2-dimethyl-3-(oxan-2-yl)propanenitrile
CID 122240166
2-[(3S)-2,3-dimethylpent-4-yn-2-yl]oxane
CID 102047896
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
2-(2,2-dimethyl-1,3-dioxan-4-yl)-2-methylpropanenitrile
CID 22723505
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
2-methyl-2-(oxan-2-yl)propane-1-sulfinamide
CID 165459159
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
2-methyl-2-(methylamino)-3-(oxan-2-yloxy)propanenitrile
CID 139729827
tert-butylcyclohexane;2-tert-butyloxane;3-tert-butyloxane
CID 157181947
1-(1-chloroethoxy)-1-(oxan-2-yl)ethanol
CID 20523019
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile (CID 124670962) is 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile is CC(C)(C#N)[C@H]1CCCCO1.
What is the InChIKey of 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile?
The InChIKey is VHNAEKCZFYSHTG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,7-10)8-5-3-4-6-11-8/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile?
2-methyl-2-[(2R)-oxan-2-yl]propanenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2R)-oxan-2-yl]propanenitrile is sourced from PubChem (CID 124670962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).