[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane

C12H22O2Si — CID 100991256

IUPAC[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane
SMILESCCOC(/C=C/C#C[Si](C)(C)C)OCC
InChIInChI=1S/C12H22O2Si/c1-6-13-12(14-7-2)10-8-9-11-15(3,4)5/h8,10,12H,6-7H2,1-5H3/b10-8+
InChIKeyNHHJFWJLZFXIKS-CSKARUKUSA-N
MW226.39 g/mol
LogP2.82
Rot. Bonds5

About [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane

[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane (PubChem CID 100991256) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane
PubChem CID100991256
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane
SMILESCCOC(/C=C/C#C[Si](C)(C)C)OCC
InChIInChI=1S/C12H22O2Si/c1-6-13-12(14-7-2)10-8-9-11-15(3,4)5/h8,10,12H,6-7H2,1-5H3/b10-8+
InChIKeyNHHJFWJLZFXIKS-CSKARUKUSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.82
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane (CID 100991256) is [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane is CCOC(/C=C/C#C[Si](C)(C)C)OCC.
What is the InChIKey of [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is NHHJFWJLZFXIKS-CSKARUKUSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-6-13-12(14-7-2)10-8-9-11-15(3,4)5/h8,10,12H,6-7H2,1-5H3/b10-8+.
What are the key properties of [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane?
[(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 226.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5-diethoxypent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 100991256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).