4-methyl-3-trimethylsilyloxypent-3-enenitrile

C9H17NOSi — CID 10081068

IUPAC4-methyl-3-trimethylsilyloxypent-3-enenitrile
SMILESCC(C)=C(CC#N)O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-8(2)9(6-7-10)11-12(3,4)5/h6H2,1-5H3
InChIKeyFWROPXPBJYGMTA-UHFFFAOYSA-N
MW183.33 g/mol
LogP3.05
Rot. Bonds3

About 4-methyl-3-trimethylsilyloxypent-3-enenitrile

4-methyl-3-trimethylsilyloxypent-3-enenitrile (PubChem CID 10081068) has the molecular formula C9H17NOSi and a molecular weight of 183.33 g/mol. Its IUPAC name is 4-methyl-3-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Name4-methyl-3-trimethylsilyloxypent-3-enenitrile
PubChem CID10081068
Molecular FormulaC9H17NOSi
Molecular Weight183.33 g/mol
Exact Mass183.11
IUPAC Name4-methyl-3-trimethylsilyloxypent-3-enenitrile
SMILESCC(C)=C(CC#N)O[Si](C)(C)C
InChIInChI=1S/C9H17NOSi/c1-8(2)9(6-7-10)11-12(3,4)5/h6H2,1-5H3
InChIKeyFWROPXPBJYGMTA-UHFFFAOYSA-N
XLogP3.05
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of 4-methyl-3-trimethylsilyloxypent-3-enenitrile (CID 10081068) is 4-methyl-3-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for 4-methyl-3-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for 4-methyl-3-trimethylsilyloxypent-3-enenitrile is CC(C)=C(CC#N)O[Si](C)(C)C.
What is the InChIKey of 4-methyl-3-trimethylsilyloxypent-3-enenitrile?
The InChIKey is FWROPXPBJYGMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOSi/c1-8(2)9(6-7-10)11-12(3,4)5/h6H2,1-5H3.
What are the key properties of 4-methyl-3-trimethylsilyloxypent-3-enenitrile?
4-methyl-3-trimethylsilyloxypent-3-enenitrile has a molecular weight of 183.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 10081068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).