2,3-dimethyl-2-silylbutanenitrile

C6H13NSi — CID 175377699

IUPAC2,3-dimethyl-2-silylbutanenitrile
SMILESCC(C)C(C)([SiH3])C#N
InChIInChI=1S/C6H13NSi/c1-5(2)6(3,8)4-7/h5H,1-3,8H3
InChIKeyIDBXGFOUPTUUQP-UHFFFAOYSA-N
MW127.26 g/mol
LogP0.71
Rot. Bonds1

About 2,3-dimethyl-2-silylbutanenitrile

2,3-dimethyl-2-silylbutanenitrile (PubChem CID 175377699) has the molecular formula C6H13NSi and a molecular weight of 127.26 g/mol. Its IUPAC name is 2,3-dimethyl-2-silylbutanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-silylbutanenitrile
PubChem CID175377699
Molecular FormulaC6H13NSi
Molecular Weight127.26 g/mol
Exact Mass127.08
IUPAC Name2,3-dimethyl-2-silylbutanenitrile
SMILESCC(C)C(C)([SiH3])C#N
InChIInChI=1S/C6H13NSi/c1-5(2)6(3,8)4-7/h5H,1-3,8H3
InChIKeyIDBXGFOUPTUUQP-UHFFFAOYSA-N
XLogP0.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.26
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dimethyl-2-silylbutanenitrile?
The IUPAC name of 2,3-dimethyl-2-silylbutanenitrile (CID 175377699) is 2,3-dimethyl-2-silylbutanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-silylbutanenitrile?
The canonical SMILES for 2,3-dimethyl-2-silylbutanenitrile is CC(C)C(C)([SiH3])C#N.
What is the InChIKey of 2,3-dimethyl-2-silylbutanenitrile?
The InChIKey is IDBXGFOUPTUUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NSi/c1-5(2)6(3,8)4-7/h5H,1-3,8H3.
What are the key properties of 2,3-dimethyl-2-silylbutanenitrile?
2,3-dimethyl-2-silylbutanenitrile has a molecular weight of 127.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-silylbutanenitrile is sourced from PubChem (CID 175377699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).