[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane

C24H44O4Si — CID 102424482

IUPAC[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane
SMILESCCOC/C=C(COCC)/C(COCC)=C(/C#C[Si](CC)(CC)CC)COCC
InChIInChI=1S/C24H44O4Si/c1-8-25-17-15-22(19-26-9-2)24(21-28-11-4)23(20-27-10-3)16-18-29(12-5,13-6)14-7/h15H,8-14,17,19-21H2,1-7H3/b22-15+,24-23-
InChIKeyMCFKWRKIHVAANB-NMWHAAFCSA-N
MW424.70 g/mol
LogP5.41
Rot. Bonds16

About [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane

[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane (PubChem CID 102424482) has the molecular formula C24H44O4Si and a molecular weight of 424.70 g/mol. Its IUPAC name is [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane.

Molecular Properties

Compound Name[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane
PubChem CID102424482
Molecular FormulaC24H44O4Si
Molecular Weight424.70 g/mol
Exact Mass424.30
IUPAC Name[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane
SMILESCCOC/C=C(COCC)/C(COCC)=C(/C#C[Si](CC)(CC)CC)COCC
InChIInChI=1S/C24H44O4Si/c1-8-25-17-15-22(19-26-9-2)24(21-28-11-4)23(20-27-10-3)16-18-29(12-5,13-6)14-7/h15H,8-14,17,19-21H2,1-7H3/b22-15+,24-23-
InChIKeyMCFKWRKIHVAANB-NMWHAAFCSA-N
XLogP5.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237621
Triethyl-[2-[2-(methoxymethyl)-3-(2-triethylsilylethynyl)cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237629
triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane
CID 102424487
tri(propan-2-yl)-[(3Z)-3-[(4Z)-4-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]oxolan-3-ylidene]prop-1-ynyl]silane
CID 102485688
[(E)-5-methoxy-3-(3-methoxyprop-1-en-2-yl)pent-3-en-1-ynyl]-trimethylsilane
CID 177459648
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 [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane?
The IUPAC name of [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane (CID 102424482) is [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane.
What is the SMILES notation for [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane?
The canonical SMILES for [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane is CCOC/C=C(COCC)/C(COCC)=C(/C#C[Si](CC)(CC)CC)COCC.
What is the InChIKey of [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane?
The InChIKey is MCFKWRKIHVAANB-NMWHAAFCSA-N. The full InChI is InChI=1S/C24H44O4Si/c1-8-25-17-15-22(19-26-9-2)24(21-28-11-4)23(20-27-10-3)16-18-29(12-5,13-6)14-7/h15H,8-14,17,19-21H2,1-7H3/b22-15+,24-23-.
What are the key properties of [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane?
[(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane has a molecular weight of 424.70 g/mol, XLogP of 5.41, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-7-ethoxy-3,4,5-tris(ethoxymethyl)hepta-3,5-dien-1-ynyl]-triethylsilane is sourced from PubChem (CID 102424482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).