(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile

C12H14ClNOSi — CID 91696835

IUPAC(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile
SMILESC[Si](C)(C)O/C(=C/C#N)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOSi/c1-16(2,3)15-12(8-9-14)10-4-6-11(13)7-5-10/h4-8H,1-3H3/b12-8+
InChIKeyJVWMJYOBGOEWEK-XYOKQWHBSA-N
MW251.79 g/mol
LogP4.06
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile

(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile (PubChem CID 91696835) has the molecular formula C12H14ClNOSi and a molecular weight of 251.79 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile
PubChem CID91696835
Molecular FormulaC12H14ClNOSi
Molecular Weight251.79 g/mol
Exact Mass251.05
IUPAC Name(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile
SMILESC[Si](C)(C)O/C(=C/C#N)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNOSi/c1-16(2,3)15-12(8-9-14)10-4-6-11(13)7-5-10/h4-8H,1-3H3/b12-8+
InChIKeyJVWMJYOBGOEWEK-XYOKQWHBSA-N
XLogP4.06
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile?
The IUPAC name of (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile (CID 91696835) is (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile?
The canonical SMILES for (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile is C[Si](C)(C)O/C(=C/C#N)c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile?
The InChIKey is JVWMJYOBGOEWEK-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H14ClNOSi/c1-16(2,3)15-12(8-9-14)10-4-6-11(13)7-5-10/h4-8H,1-3H3/b12-8+.
What are the key properties of (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile?
(E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile has a molecular weight of 251.79 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-3-trimethylsilyloxyprop-2-enenitrile is sourced from PubChem (CID 91696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).