(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane

C16H22OSi — CID 11345943

IUPAC(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane
SMILESC=CCCOC(C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H22OSi/c1-5-6-13-17-16(12-14-18(2,3)4)15-10-8-7-9-11-15/h5,7-11,16H,1,6,13H2,2-4H3
InChIKeySTWCTAWAIGRAPT-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.20
Rot. Bonds5

About (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane

(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane (PubChem CID 11345943) has the molecular formula C16H22OSi and a molecular weight of 258.44 g/mol. Its IUPAC name is (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane.

Molecular Properties

Compound Name(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane
PubChem CID11345943
Molecular FormulaC16H22OSi
Molecular Weight258.44 g/mol
Exact Mass258.14
IUPAC Name(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane
SMILESC=CCCOC(C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H22OSi/c1-5-6-13-17-16(12-14-18(2,3)4)15-10-8-7-9-11-15/h5,7-11,16H,1,6,13H2,2-4H3
InChIKeySTWCTAWAIGRAPT-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane?
The IUPAC name of (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane (CID 11345943) is (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane.
What is the SMILES notation for (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane?
The canonical SMILES for (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane is C=CCCOC(C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane?
The InChIKey is STWCTAWAIGRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSi/c1-5-6-13-17-16(12-14-18(2,3)4)15-10-8-7-9-11-15/h5,7-11,16H,1,6,13H2,2-4H3.
What are the key properties of (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane?
(3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane has a molecular weight of 258.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-but-3-enoxy-3-phenylprop-1-ynyl)-trimethylsilane is sourced from PubChem (CID 11345943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).