1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne

C20H40Si4 — CID 71341244

IUPAC1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne
SMILESCC[Si]1(CC)C#C[Si](CC)(CC)[Si](CC)(CC)C#C[Si]1(CC)CC
InChIInChI=1S/C20H40Si4/c1-9-21(10-2)17-18-23(13-5,14-6)24(15-7,16-8)20-19-22(21,11-3)12-4/h9-16H2,1-8H3
InChIKeyLQYQMXQJUXKONI-UHFFFAOYSA-N
MW392.88 g/mol
LogP6.27
Rot. Bonds8

About 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne

1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne (PubChem CID 71341244) has the molecular formula C20H40Si4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne.

Molecular Properties

Compound Name1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne
PubChem CID71341244
Molecular FormulaC20H40Si4
Molecular Weight392.88 g/mol
Exact Mass392.22
IUPAC Name1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne
SMILESCC[Si]1(CC)C#C[Si](CC)(CC)[Si](CC)(CC)C#C[Si]1(CC)CC
InChIInChI=1S/C20H40Si4/c1-9-21(10-2)17-18-23(13-5,14-6)24(15-7,16-8)20-19-22(21,11-3)12-4/h9-16H2,1-8H3
InChIKeyLQYQMXQJUXKONI-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 56.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne?
The IUPAC name of 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne (CID 71341244) is 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne.
What is the SMILES notation for 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne?
The canonical SMILES for 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne is CC[Si]1(CC)C#C[Si](CC)(CC)[Si](CC)(CC)C#C[Si]1(CC)CC.
What is the InChIKey of 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne?
The InChIKey is LQYQMXQJUXKONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40Si4/c1-9-21(10-2)17-18-23(13-5,14-6)24(15-7,16-8)20-19-22(21,11-3)12-4/h9-16H2,1-8H3.
What are the key properties of 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne?
1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne has a molecular weight of 392.88 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,5,5,6,6-octaethyl-1,2,5,6-tetrasilacycloocta-3,7-diyne is sourced from PubChem (CID 71341244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).