(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile

C17H33NOSi — CID 172991748

IUPAC(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile
SMILESC=C[C@@](C)(C#N)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H33NOSi/c1-9-17(8,13-18)11-10-12-19-20(14(2)3,15(4)5)16(6)7/h9,14-16H,1,10-12H2,2-8H3/t17-/m1/s1
InChIKeyADUPAPLSHYQWJP-QGZVFWFLSA-N
MW295.54 g/mol
LogP5.67
Rot. Bonds9

About (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile

(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile (PubChem CID 172991748) has the molecular formula C17H33NOSi and a molecular weight of 295.54 g/mol. Its IUPAC name is (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile.

Molecular Properties

Compound Name(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile
PubChem CID172991748
Molecular FormulaC17H33NOSi
Molecular Weight295.54 g/mol
Exact Mass295.23
IUPAC Name(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile
SMILESC=C[C@@](C)(C#N)CCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H33NOSi/c1-9-17(8,13-18)11-10-12-19-20(14(2)3,15(4)5)16(6)7/h9,14-16H,1,10-12H2,2-8H3/t17-/m1/s1
InChIKeyADUPAPLSHYQWJP-QGZVFWFLSA-N
XLogP5.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile?
The IUPAC name of (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile (CID 172991748) is (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile.
What is the SMILES notation for (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile?
The canonical SMILES for (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile is C=C[C@@](C)(C#N)CCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile?
The InChIKey is ADUPAPLSHYQWJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33NOSi/c1-9-17(8,13-18)11-10-12-19-20(14(2)3,15(4)5)16(6)7/h9,14-16H,1,10-12H2,2-8H3/t17-/m1/s1.
What are the key properties of (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile?
(2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile has a molecular weight of 295.54 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-2-methyl-5-tri(propan-2-yl)silyloxypentanenitrile is sourced from PubChem (CID 172991748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).