triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane

C24H32OSi — CID 11152747

IUPACtriethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane
SMILESC=C(C)/C=C(\c1ccccc1)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C24H32OSi/c1-6-26(7-2,8-3)25-24(22-17-13-10-14-18-22)23(19-20(4)5)21-15-11-9-12-16-21/h9-19,24H,4,6-8H2,1-3,5H3/b23-19+
InChIKeyVKZDZZRYLCQYMH-FCDQGJHFSA-N
MW364.61 g/mol
LogP7.41
Rot. Bonds9

About triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane

triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane (PubChem CID 11152747) has the molecular formula C24H32OSi and a molecular weight of 364.61 g/mol. Its IUPAC name is triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane
PubChem CID11152747
Molecular FormulaC24H32OSi
Molecular Weight364.61 g/mol
Exact Mass364.22
IUPAC Nametriethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane
SMILESC=C(C)/C=C(\c1ccccc1)C(O[Si](CC)(CC)CC)c1ccccc1
InChIInChI=1S/C24H32OSi/c1-6-26(7-2,8-3)25-24(22-17-13-10-14-18-22)23(19-20(4)5)21-15-11-9-12-16-21/h9-19,24H,4,6-8H2,1-3,5H3/b23-19+
InChIKeyVKZDZZRYLCQYMH-FCDQGJHFSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane?
The IUPAC name of triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane (CID 11152747) is triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane?
The canonical SMILES for triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane is C=C(C)/C=C(\c1ccccc1)C(O[Si](CC)(CC)CC)c1ccccc1.
What is the InChIKey of triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane?
The InChIKey is VKZDZZRYLCQYMH-FCDQGJHFSA-N. The full InChI is InChI=1S/C24H32OSi/c1-6-26(7-2,8-3)25-24(22-17-13-10-14-18-22)23(19-20(4)5)21-15-11-9-12-16-21/h9-19,24H,4,6-8H2,1-3,5H3/b23-19+.
What are the key properties of triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane?
triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane has a molecular weight of 364.61 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-4-methyl-1,2-diphenylpenta-2,4-dienoxy]silane is sourced from PubChem (CID 11152747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).