2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile

C11H19NOSi — CID 59396415

IUPAC2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(C1CC1)C1CC1
InChIInChI=1S/C11H19NOSi/c1-14(2,3)13-11(8-12,9-4-5-9)10-6-7-10/h9-10H,4-7H2,1-3H3
InChIKeyDENJIKSLCBBIKI-UHFFFAOYSA-N
MW209.36 g/mol
LogP2.92
Rot. Bonds4

About 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile

2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile (PubChem CID 59396415) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile
PubChem CID59396415
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(C1CC1)C1CC1
InChIInChI=1S/C11H19NOSi/c1-14(2,3)13-11(8-12,9-4-5-9)10-6-7-10/h9-10H,4-7H2,1-3H3
InChIKeyDENJIKSLCBBIKI-UHFFFAOYSA-N
XLogP2.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 52.92
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 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile (CID 59396415) is 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile?
The InChIKey is DENJIKSLCBBIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-14(2,3)13-11(8-12,9-4-5-9)10-6-7-10/h9-10H,4-7H2,1-3H3.
What are the key properties of 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile?
2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile has a molecular weight of 209.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 59396415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).