3-phenyl-3-trimethylsilyloxypropanenitrile

C12H17NOSi — CID 10987773

IUPAC3-phenyl-3-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(CC#N)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-15(2,3)14-12(9-10-13)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKeyQFSZZSPAYYVNJK-UHFFFAOYSA-N
MW219.36 g/mol
LogP3.49
Rot. Bonds4

About 3-phenyl-3-trimethylsilyloxypropanenitrile

3-phenyl-3-trimethylsilyloxypropanenitrile (PubChem CID 10987773) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 3-phenyl-3-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name3-phenyl-3-trimethylsilyloxypropanenitrile
PubChem CID10987773
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name3-phenyl-3-trimethylsilyloxypropanenitrile
SMILESC[Si](C)(C)OC(CC#N)c1ccccc1
InChIInChI=1S/C12H17NOSi/c1-15(2,3)14-12(9-10-13)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKeyQFSZZSPAYYVNJK-UHFFFAOYSA-N
XLogP3.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 53.49
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-phenyl-3-trimethylsilyloxypropanenitrile?
The IUPAC name of 3-phenyl-3-trimethylsilyloxypropanenitrile (CID 10987773) is 3-phenyl-3-trimethylsilyloxypropanenitrile.
What is the SMILES notation for 3-phenyl-3-trimethylsilyloxypropanenitrile?
The canonical SMILES for 3-phenyl-3-trimethylsilyloxypropanenitrile is C[Si](C)(C)OC(CC#N)c1ccccc1.
What is the InChIKey of 3-phenyl-3-trimethylsilyloxypropanenitrile?
The InChIKey is QFSZZSPAYYVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-15(2,3)14-12(9-10-13)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3.
What are the key properties of 3-phenyl-3-trimethylsilyloxypropanenitrile?
3-phenyl-3-trimethylsilyloxypropanenitrile has a molecular weight of 219.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 10987773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).