2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile

C11H23NOSi2 — CID 10466887

IUPAC2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile
SMILESC=CCC(C#N)(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NOSi2/c1-8-9-11(10-12,14(2,3)4)13-15(5,6)7/h8H,1,9H2,2-7H3
InChIKeyXZLFCFZWIFHCFA-UHFFFAOYSA-N
MW241.48 g/mol
LogP3.55
Rot. Bonds5

About 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile

2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile (PubChem CID 10466887) has the molecular formula C11H23NOSi2 and a molecular weight of 241.48 g/mol. Its IUPAC name is 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile.

Molecular Properties

Compound Name2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile
PubChem CID10466887
Molecular FormulaC11H23NOSi2
Molecular Weight241.48 g/mol
Exact Mass241.13
IUPAC Name2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile
SMILESC=CCC(C#N)(O[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H23NOSi2/c1-8-9-11(10-12,14(2,3)4)13-15(5,6)7/h8H,1,9H2,2-7H3
InChIKeyXZLFCFZWIFHCFA-UHFFFAOYSA-N
XLogP3.55
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile?
The IUPAC name of 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile (CID 10466887) is 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile.
What is the SMILES notation for 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile?
The canonical SMILES for 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile is C=CCC(C#N)(O[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile?
The InChIKey is XZLFCFZWIFHCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOSi2/c1-8-9-11(10-12,14(2,3)4)13-15(5,6)7/h8H,1,9H2,2-7H3.
What are the key properties of 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile?
2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile has a molecular weight of 241.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyl-2-trimethylsilyloxypent-4-enenitrile is sourced from PubChem (CID 10466887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).