triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane

C28H50Si3 — CID 102353054

IUPACtriethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
SMILESC=C(C)C(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C28H50Si3/c1-12-29(13-2,14-3)24-21-28(27(10)11,22-25-30(15-4,16-5)17-6)23-26-31(18-7,19-8)20-9/h10,12-20H2,1-9,11H3
InChIKeyMXOJFPMRYXDNLI-UHFFFAOYSA-N
MW470.97 g/mol
LogP8.70
Rot. Bonds10

About triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane

triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane (PubChem CID 102353054) has the molecular formula C28H50Si3 and a molecular weight of 470.97 g/mol. Its IUPAC name is triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane.

Molecular Properties

Compound Nametriethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
PubChem CID102353054
Molecular FormulaC28H50Si3
Molecular Weight470.97 g/mol
Exact Mass470.32
IUPAC Nametriethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
SMILESC=C(C)C(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC
InChIInChI=1S/C28H50Si3/c1-12-29(13-2,14-3)24-21-28(27(10)11,22-25-30(15-4,16-5)17-6)23-26-31(18-7,19-8)20-9/h10,12-20H2,1-9,11H3
InChIKeyMXOJFPMRYXDNLI-UHFFFAOYSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.97
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The IUPAC name of triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane (CID 102353054) is triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane.
What is the SMILES notation for triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The canonical SMILES for triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane is C=C(C)C(C#C[Si](CC)(CC)CC)(C#C[Si](CC)(CC)CC)C#C[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
The InChIKey is MXOJFPMRYXDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50Si3/c1-12-29(13-2,14-3)24-21-28(27(10)11,22-25-30(15-4,16-5)17-6)23-26-31(18-7,19-8)20-9/h10,12-20H2,1-9,11H3.
What are the key properties of triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane?
triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane has a molecular weight of 470.97 g/mol, XLogP of 8.70, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-methyl-3,3-bis(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane is sourced from PubChem (CID 102353054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).