[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane

C13H24O2Si — CID 15207683

IUPAC[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane
SMILESCCOC(C#C/C=C/C[Si](C)(C)C)OCC
InChIInChI=1S/C13H24O2Si/c1-6-14-13(15-7-2)11-9-8-10-12-16(3,4)5/h8,10,13H,6-7,12H2,1-5H3/b10-8+
InChIKeyJTNTYONEMMJFEN-CSKARUKUSA-N
MW240.42 g/mol
LogP3.28
Rot. Bonds6

About [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane

[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane (PubChem CID 15207683) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane
PubChem CID15207683
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane
SMILESCCOC(C#C/C=C/C[Si](C)(C)C)OCC
InChIInChI=1S/C13H24O2Si/c1-6-14-13(15-7-2)11-9-8-10-12-16(3,4)5/h8,10,13H,6-7,12H2,1-5H3/b10-8+
InChIKeyJTNTYONEMMJFEN-CSKARUKUSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.28
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'}

Analyze [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane
CID 11183696
1-(1-Ethoxyethoxy)buta-1,2-dienyl-trimethylsilane
CID 12929553
1,1-Diethoxyhex-trans-4-en-2-yne
CID 5368982
cis-1,1-Diethoxyhex-4-en-2-yne
CID 5368983
[(E)-4-(1-ethoxyethoxy)but-1-enyl]-trimethylsilane
CID 10488937
[(E)-3-(1-ethoxyethoxy)prop-1-enyl]-trimethylsilane
CID 10560061
3,3-Bis(but-3-enoxy)prop-1-ynyl-trimethylsilane
CID 11218974
3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
CID 11276814
[(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
CID 14565406
(Z)-7,7-diethoxy-1-trimethylsilyl-3-hepten-1,5-diyne
CID 14565407
CID 21116327
CID 21116327
7,7-Diethoxyhept-3-en-1,5-diynyl(trimethyl)silane
CID 53694521

Frequently Asked Questions

What is the IUPAC name of [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane?
The IUPAC name of [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane (CID 15207683) is [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane is CCOC(C#C/C=C/C[Si](C)(C)C)OCC.
What is the InChIKey of [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane?
The InChIKey is JTNTYONEMMJFEN-CSKARUKUSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-6-14-13(15-7-2)11-9-8-10-12-16(3,4)5/h8,10,13H,6-7,12H2,1-5H3/b10-8+.
What are the key properties of [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane?
[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane has a molecular weight of 240.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane is sourced from PubChem (CID 15207683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).