triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane

C24H44O8Si — CID 102424487

IUPACtriethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane
SMILESCC[Si](C#C/C(COCOC)=C(COCOC)/C(=C/COCOC)COCOC)(CC)CC
InChIInChI=1S/C24H44O8Si/c1-8-33(9-2,10-3)14-12-23(16-31-20-27-6)24(17-32-21-28-7)22(15-30-19-26-5)11-13-29-18-25-4/h11H,8-10,13,15-21H2,1-7H3/b22-11+,24-23-
InChIKeyXQLWLHBAIJYAMJ-WYLFGXDRSA-N
MW488.69 g/mol
LogP3.74
Rot. Bonds20

About triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane

triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane (PubChem CID 102424487) has the molecular formula C24H44O8Si and a molecular weight of 488.69 g/mol. Its IUPAC name is triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane.

Molecular Properties

Compound Nametriethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane
PubChem CID102424487
Molecular FormulaC24H44O8Si
Molecular Weight488.69 g/mol
Exact Mass488.28
IUPAC Nametriethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane
SMILESCC[Si](C#C/C(COCOC)=C(COCOC)/C(=C/COCOC)COCOC)(CC)CC
InChIInChI=1S/C24H44O8Si/c1-8-33(9-2,10-3)14-12-23(16-31-20-27-6)24(17-32-21-28-7)22(15-30-19-26-5)11-13-29-18-25-4/h11H,8-10,13,15-21H2,1-7H3/b22-11+,24-23-
InChIKeyXQLWLHBAIJYAMJ-WYLFGXDRSA-N
XLogP3.74
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.69
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(3Z,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-tri(propan-2-yl)silane
CID 134941908
[(1E,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 10805942
[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane
CID 102424482
[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 177451165
triethyl-[(3Z,5Z)-7-propoxy-3,4,5-tris(propoxymethyl)hepta-3,5-dien-1-ynyl]silane
CID 177612958

Frequently Asked Questions

What is the IUPAC name of triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane?
The IUPAC name of triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane (CID 102424487) is triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane.
What is the SMILES notation for triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane?
The canonical SMILES for triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane is CC[Si](C#C/C(COCOC)=C(COCOC)/C(=C/COCOC)COCOC)(CC)CC.
What is the InChIKey of triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane?
The InChIKey is XQLWLHBAIJYAMJ-WYLFGXDRSA-N. The full InChI is InChI=1S/C24H44O8Si/c1-8-33(9-2,10-3)14-12-23(16-31-20-27-6)24(17-32-21-28-7)22(15-30-19-26-5)11-13-29-18-25-4/h11H,8-10,13,15-21H2,1-7H3/b22-11+,24-23-.
What are the key properties of triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane?
triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane has a molecular weight of 488.69 g/mol, XLogP of 3.74, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane is sourced from PubChem (CID 102424487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).