1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane

C10H30S3Si6 — CID 12990384

IUPAC1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane
SMILESC[Si]1(C)S[Si](C)(C)[Si]2(C)S[Si]1(C)[Si](C)(C)S[Si]2(C)C
InChIInChI=1S/C10H30S3Si6/c1-14(2)11-15(3,4)19(10)13-18(14,9)16(5,6)12-17(19,7)8/h1-10H3
InChIKeyWPLITLWBRIQSQV-UHFFFAOYSA-N
MW415.07 g/mol
LogP5.50
Rot. Bonds

About 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane

1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane (PubChem CID 12990384) has the molecular formula C10H30S3Si6 and a molecular weight of 415.07 g/mol. Its IUPAC name is 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane
PubChem CID12990384
Molecular FormulaC10H30S3Si6
Molecular Weight415.07 g/mol
Exact Mass414.01
IUPAC Name1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane
SMILESC[Si]1(C)S[Si](C)(C)[Si]2(C)S[Si]1(C)[Si](C)(C)S[Si]2(C)C
InChIInChI=1S/C10H30S3Si6/c1-14(2)11-15(3,4)19(10)13-18(14,9)16(5,6)12-17(19,7)8/h1-10H3
InChIKeyWPLITLWBRIQSQV-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.07
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane?
The IUPAC name of 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane (CID 12990384) is 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane.
What is the SMILES notation for 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane?
The canonical SMILES for 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane is C[Si]1(C)S[Si](C)(C)[Si]2(C)S[Si]1(C)[Si](C)(C)S[Si]2(C)C.
What is the InChIKey of 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane?
The InChIKey is WPLITLWBRIQSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H30S3Si6/c1-14(2)11-15(3,4)19(10)13-18(14,9)16(5,6)12-17(19,7)8/h1-10H3.
What are the key properties of 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane?
1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane has a molecular weight of 415.07 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4,4,5,6,6,8,8-decamethyl-3,7,9-trithia-1,2,4,5,6,8-hexasilabicyclo[3.3.1]nonane is sourced from PubChem (CID 12990384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).