(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane

C20H34O2S2Si2 — CID 11464479

IUPAC(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(CCCCC(O[Si](C)(C)C)c1cccs1)c1cccs1
InChIInChI=1S/C20H34O2S2Si2/c1-25(2,3)21-17(19-13-9-15-23-19)11-7-8-12-18(22-26(4,5)6)20-14-10-16-24-20/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKeyOUMNVXRUYLDOOF-UHFFFAOYSA-N
MW426.80 g/mol
LogP7.86
Rot. Bonds11

About (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane

(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane (PubChem CID 11464479) has the molecular formula C20H34O2S2Si2 and a molecular weight of 426.80 g/mol. Its IUPAC name is (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane.

Molecular Properties

Compound Name(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
PubChem CID11464479
Molecular FormulaC20H34O2S2Si2
Molecular Weight426.80 g/mol
Exact Mass426.15
IUPAC Name(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane
SMILESC[Si](C)(C)OC(CCCCC(O[Si](C)(C)C)c1cccs1)c1cccs1
InChIInChI=1S/C20H34O2S2Si2/c1-25(2,3)21-17(19-13-9-15-23-19)11-7-8-12-18(22-26(4,5)6)20-14-10-16-24-20/h9-10,13-18H,7-8,11-12H2,1-6H3
InChIKeyOUMNVXRUYLDOOF-UHFFFAOYSA-N
XLogP7.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.80
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 162513207
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CID 19734009
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Frequently Asked Questions

What is the IUPAC name of (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane?
The IUPAC name of (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane (CID 11464479) is (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane.
What is the SMILES notation for (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane?
The canonical SMILES for (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane is C[Si](C)(C)OC(CCCCC(O[Si](C)(C)C)c1cccs1)c1cccs1.
What is the InChIKey of (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane?
The InChIKey is OUMNVXRUYLDOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2S2Si2/c1-25(2,3)21-17(19-13-9-15-23-19)11-7-8-12-18(22-26(4,5)6)20-14-10-16-24-20/h9-10,13-18H,7-8,11-12H2,1-6H3.
What are the key properties of (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane?
(1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane has a molecular weight of 426.80 g/mol, XLogP of 7.86, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dithiophen-2-yl-6-trimethylsilyloxyhexoxy)-trimethylsilane is sourced from PubChem (CID 11464479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).