2-(2-methyloxasilinan-2-yl)propanenitrile

C8H15NOSi — CID 67812670

IUPAC2-(2-methyloxasilinan-2-yl)propanenitrile
SMILESCC(C#N)[Si]1(C)CCCCO1
InChIInChI=1S/C8H15NOSi/c1-8(7-9)11(2)6-4-3-5-10-11/h8H,3-6H2,1-2H3
InChIKeyHWTCQNBOTJBXAF-UHFFFAOYSA-N
MW169.30 g/mol
LogP2.29
Rot. Bonds1

About 2-(2-methyloxasilinan-2-yl)propanenitrile

2-(2-methyloxasilinan-2-yl)propanenitrile (PubChem CID 67812670) has the molecular formula C8H15NOSi and a molecular weight of 169.30 g/mol. Its IUPAC name is 2-(2-methyloxasilinan-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(2-methyloxasilinan-2-yl)propanenitrile
PubChem CID67812670
Molecular FormulaC8H15NOSi
Molecular Weight169.30 g/mol
Exact Mass169.09
IUPAC Name2-(2-methyloxasilinan-2-yl)propanenitrile
SMILESCC(C#N)[Si]1(C)CCCCO1
InChIInChI=1S/C8H15NOSi/c1-8(7-9)11(2)6-4-3-5-10-11/h8H,3-6H2,1-2H3
InChIKeyHWTCQNBOTJBXAF-UHFFFAOYSA-N
XLogP2.29
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyloxasilinan-2-yl)butanenitrile
CID 70470748
butane;2,2-dimethyloxasilinane
CID 175060345
2,2,6,6-tetramethyl-1,5,2,6-dioxadisilocane
CID 12619896
2-methylpropanedinitrile
CID 19425
butanedioic acid;2,2-dimethyloxasilinane
CID 174614210
methane;2-methyl-2-propyloxasilinane
CID 159999289
2-(oxasilinan-2-yl)propanenitrile
CID 173073670
2-ethyl-2-hydroxyoxasilinane
CID 21251751
2-methyl-2-propoxyoxasilinane
CID 70135100
2-methylpropane;oxolane
CID 70603205
2,2,3-trimethyloxasilepane
CID 22966650
2,2,6,6-tetramethyl-1,2,6-oxadisilinane-4,4-dicarbonitrile
CID 88546317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxasilinan-2-yl)propanenitrile?
The IUPAC name of 2-(2-methyloxasilinan-2-yl)propanenitrile (CID 67812670) is 2-(2-methyloxasilinan-2-yl)propanenitrile.
What is the SMILES notation for 2-(2-methyloxasilinan-2-yl)propanenitrile?
The canonical SMILES for 2-(2-methyloxasilinan-2-yl)propanenitrile is CC(C#N)[Si]1(C)CCCCO1.
What is the InChIKey of 2-(2-methyloxasilinan-2-yl)propanenitrile?
The InChIKey is HWTCQNBOTJBXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOSi/c1-8(7-9)11(2)6-4-3-5-10-11/h8H,3-6H2,1-2H3.
What are the key properties of 2-(2-methyloxasilinan-2-yl)propanenitrile?
2-(2-methyloxasilinan-2-yl)propanenitrile has a molecular weight of 169.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxasilinan-2-yl)propanenitrile is sourced from PubChem (CID 67812670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).