[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile

C9H19NOSi — CID 14874584

IUPAC[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile
SMILESCC(O[Si](C)(C)C#N)C(C)(C)C
InChIInChI=1S/C9H19NOSi/c1-8(9(2,3)4)11-12(5,6)7-10/h8H,1-6H3
InChIKeyPZQBTSXBXCECPD-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.71
Rot. Bonds2

About [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile

[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile (PubChem CID 14874584) has the molecular formula C9H19NOSi and a molecular weight of 185.34 g/mol. Its IUPAC name is [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile.

Molecular Properties

Compound Name[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile
PubChem CID14874584
Molecular FormulaC9H19NOSi
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile
SMILESCC(O[Si](C)(C)C#N)C(C)(C)C
InChIInChI=1S/C9H19NOSi/c1-8(9(2,3)4)11-12(5,6)7-10/h8H,1-6H3
InChIKeyPZQBTSXBXCECPD-UHFFFAOYSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile?
The IUPAC name of [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile (CID 14874584) is [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile.
What is the SMILES notation for [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile?
The canonical SMILES for [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile is CC(O[Si](C)(C)C#N)C(C)(C)C.
What is the InChIKey of [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile?
The InChIKey is PZQBTSXBXCECPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSi/c1-8(9(2,3)4)11-12(5,6)7-10/h8H,1-6H3.
What are the key properties of [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile?
[3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile has a molecular weight of 185.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethylbutan-2-yloxy(dimethyl)silyl]formonitrile is sourced from PubChem (CID 14874584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).