2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile

C14H19NOSi — CID 79982485

IUPAC2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccccc1C1CC1
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(10-15)13-7-5-4-6-12(13)11-8-9-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyXDRPZIGBFHGCBS-UHFFFAOYSA-N
MW245.40 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile

2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile (PubChem CID 79982485) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile
PubChem CID79982485
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)c1ccccc1C1CC1
InChIInChI=1S/C14H19NOSi/c1-17(2,3)16-14(10-15)13-7-5-4-6-12(13)11-8-9-11/h4-7,11,14H,8-9H2,1-3H3
InChIKeyXDRPZIGBFHGCBS-UHFFFAOYSA-N
XLogP3.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.98
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-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile (CID 79982485) is 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is XDRPZIGBFHGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-17(2,3)16-14(10-15)13-7-5-4-6-12(13)11-8-9-11/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile?
2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 245.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 79982485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).