[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane

C22H46Si4 — CID 634556

IUPAC[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane
SMILESCC[Si](C)(C)C#CC(=C=C(C[Si](C)(C)CC)[Si](C)(C)CC)[Si](C)(C)CC
InChIInChI=1S/C22H46Si4/c1-13-23(5,6)18-17-21(25(9,10)15-3)19-22(26(11,12)16-4)20-24(7,8)14-2/h13-16,20H2,1-12H3
InChIKeyBDIPUZRCNPTSJI-UHFFFAOYSA-N
MW422.95 g/mol
LogP7.97
Rot. Bonds8

About [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane

[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane (PubChem CID 634556) has the molecular formula C22H46Si4 and a molecular weight of 422.95 g/mol. Its IUPAC name is [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane
PubChem CID634556
Molecular FormulaC22H46Si4
Molecular Weight422.95 g/mol
Exact Mass422.27
IUPAC Name[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane
SMILESCC[Si](C)(C)C#CC(=C=C(C[Si](C)(C)CC)[Si](C)(C)CC)[Si](C)(C)CC
InChIInChI=1S/C22H46Si4/c1-13-23(5,6)18-17-21(25(9,10)15-3)19-22(26(11,12)16-4)20-24(7,8)14-2/h13-16,20H2,1-12H3
InChIKeyBDIPUZRCNPTSJI-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.95
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane?
The IUPAC name of [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane (CID 634556) is [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane.
What is the SMILES notation for [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane?
The canonical SMILES for [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane is CC[Si](C)(C)C#CC(=C=C(C[Si](C)(C)CC)[Si](C)(C)CC)[Si](C)(C)CC.
What is the InChIKey of [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane?
The InChIKey is BDIPUZRCNPTSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46Si4/c1-13-23(5,6)18-17-21(25(9,10)15-3)19-22(26(11,12)16-4)20-24(7,8)14-2/h13-16,20H2,1-12H3.
What are the key properties of [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane?
[3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane has a molecular weight of 422.95 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[ethyl(dimethyl)silyl]-1-[2-[ethyl(dimethyl)silyl]ethynyl]buta-1,2-dienyl]-ethyl-dimethylsilane is sourced from PubChem (CID 634556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).