3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane

C14H24O2Si — CID 11276814

IUPAC3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
SMILESC/C=C/COC(C#C[Si](C)(C)C)OC/C=C/C
InChIInChI=1S/C14H24O2Si/c1-6-8-11-15-14(16-12-9-7-2)10-13-17(3,4)5/h6-9,14H,11-12H2,1-5H3/b8-6+,9-7+
InChIKeyQTACNBJGVDFZJL-CDJQDVQCSA-N
MW252.43 g/mol
LogP3.38
Rot. Bonds6

About 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane

3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane (PubChem CID 11276814) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
PubChem CID11276814
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
SMILESC/C=C/COC(C#C[Si](C)(C)C)OC/C=C/C
InChIInChI=1S/C14H24O2Si/c1-6-8-11-15-14(16-12-9-7-2)10-13-17(3,4)5/h6-9,14H,11-12H2,1-5H3/b8-6+,9-7+
InChIKeyQTACNBJGVDFZJL-CDJQDVQCSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane?
The IUPAC name of 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane (CID 11276814) is 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane.
What is the SMILES notation for 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane?
The canonical SMILES for 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane is C/C=C/COC(C#C[Si](C)(C)C)OC/C=C/C.
What is the InChIKey of 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane?
The InChIKey is QTACNBJGVDFZJL-CDJQDVQCSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-6-8-11-15-14(16-12-9-7-2)10-13-17(3,4)5/h6-9,14H,11-12H2,1-5H3/b8-6+,9-7+.
What are the key properties of 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane?
3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane has a molecular weight of 252.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 11276814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).