(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane

C23H36OS2Si — CID 90779046

IUPAC(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)OC3C(C)CC4CCCCC43)C2S1
InChIInChI=1S/C23H36OS2Si/c1-13-10-16-8-6-7-9-17(16)20(13)24-27(4,5)23-21-18(11-14(2)25-21)19-12-15(3)26-22(19)23/h11-13,16-23H,6-10H2,1-5H3
InChIKeyGNYUFXGPDZZKDG-UHFFFAOYSA-N
MW420.76 g/mol
LogP7.08
Rot. Bonds3

About (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane

(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane (PubChem CID 90779046) has the molecular formula C23H36OS2Si and a molecular weight of 420.76 g/mol. Its IUPAC name is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane.

Molecular Properties

Compound Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
PubChem CID90779046
Molecular FormulaC23H36OS2Si
Molecular Weight420.76 g/mol
Exact Mass420.20
IUPAC Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane
SMILESCC1=CC2C3C=C(C)SC3C([Si](C)(C)OC3C(C)CC4CCCCC43)C2S1
InChIInChI=1S/C23H36OS2Si/c1-13-10-16-8-6-7-9-17(16)20(13)24-27(4,5)23-21-18(11-14(2)25-21)19-12-15(3)26-22(19)23/h11-13,16-23H,6-10H2,1-5H3
InChIKeyGNYUFXGPDZZKDG-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.76
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?
The IUPAC name of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane (CID 90779046) is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane.
What is the SMILES notation for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?
The canonical SMILES for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane is CC1=CC2C3C=C(C)SC3C([Si](C)(C)OC3C(C)CC4CCCCC43)C2S1.
What is the InChIKey of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?
The InChIKey is GNYUFXGPDZZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36OS2Si/c1-13-10-16-8-6-7-9-17(16)20(13)24-27(4,5)23-21-18(11-14(2)25-21)19-12-15(3)26-22(19)23/h11-13,16-23H,6-10H2,1-5H3.
What are the key properties of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane?
(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane has a molecular weight of 420.76 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-3,10-dien-7-yl)-dimethyl-[(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)oxy]silane is sourced from PubChem (CID 90779046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).