[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane

C20H38Si4 — CID 15771731

IUPAC[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC=C(C(C#C[Si](C)(C)C)=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h14,18H,1-12H3
InChIKeyWUZYFICNGSLPAT-UHFFFAOYSA-N
MW390.87 g/mol
LogP6.36
Rot. Bonds3

About [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane

[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane (PubChem CID 15771731) has the molecular formula C20H38Si4 and a molecular weight of 390.87 g/mol. Its IUPAC name is [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane
PubChem CID15771731
Molecular FormulaC20H38Si4
Molecular Weight390.87 g/mol
Exact Mass390.21
IUPAC Name[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC=C(C(C#C[Si](C)(C)C)=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h14,18H,1-12H3
InChIKeyWUZYFICNGSLPAT-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane?
The IUPAC name of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane (CID 15771731) is [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane.
What is the SMILES notation for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane?
The canonical SMILES for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane is C[Si](C)(C)C#CC=C(C(C#C[Si](C)(C)C)=C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane?
The InChIKey is WUZYFICNGSLPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h14,18H,1-12H3.
What are the key properties of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane?
[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane has a molecular weight of 390.87 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3-dien-5-ynyl]-trimethylsilane is sourced from PubChem (CID 15771731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).