(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile

C24H47NOSi — CID 11474878

IUPAC(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile
SMILESC=C[C@](CC#N)(CCCCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C24H47NOSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(7-2,22-23-25)26-27(3,4)5/h7H,2,6,8-22H2,1,3-5H3/t24-/m1/s1
InChIKeyWWVSNINAQKWRMD-XMMPIXPASA-N
MW393.73 g/mol
LogP8.55
Rot. Bonds19

About (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile

(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile (PubChem CID 11474878) has the molecular formula C24H47NOSi and a molecular weight of 393.73 g/mol. Its IUPAC name is (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile.

Molecular Properties

Compound Name(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile
PubChem CID11474878
Molecular FormulaC24H47NOSi
Molecular Weight393.73 g/mol
Exact Mass393.34
IUPAC Name(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile
SMILESC=C[C@](CC#N)(CCCCCCCCCCCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C24H47NOSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(7-2,22-23-25)26-27(3,4)5/h7H,2,6,8-22H2,1,3-5H3/t24-/m1/s1
InChIKeyWWVSNINAQKWRMD-XMMPIXPASA-N
XLogP8.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.73
LogP ≤ 58.55
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile?
The IUPAC name of (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile (CID 11474878) is (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile.
What is the SMILES notation for (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile?
The canonical SMILES for (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile is C=C[C@](CC#N)(CCCCCCCCCCCCCCCC)O[Si](C)(C)C.
What is the InChIKey of (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile?
The InChIKey is WWVSNINAQKWRMD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H47NOSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(7-2,22-23-25)26-27(3,4)5/h7H,2,6,8-22H2,1,3-5H3/t24-/m1/s1.
What are the key properties of (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile?
(3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile has a molecular weight of 393.73 g/mol, XLogP of 8.55, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-3-trimethylsilyloxynonadecanenitrile is sourced from PubChem (CID 11474878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).