(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane

C25H28S2Si — CID 59735671

IUPAC(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(C)cc(C)cc2C1[Si](C)(C)C1c2sc(C)cc2-c2cc(C)sc21
InChIInChI=1S/C25H28S2Si/c1-13-8-14(2)18-10-15(3)24(21(18)9-13)28(6,7)25-22-19(11-16(4)26-22)20-12-17(5)27-23(20)25/h8-12,24-25H,1-7H3
InChIKeyLQNOKZGVUPKJDP-UHFFFAOYSA-N
MW420.72 g/mol
LogP8.14
Rot. Bonds2

About (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane

(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane (PubChem CID 59735671) has the molecular formula C25H28S2Si and a molecular weight of 420.72 g/mol. Its IUPAC name is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane.

Molecular Properties

Compound Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane
PubChem CID59735671
Molecular FormulaC25H28S2Si
Molecular Weight420.72 g/mol
Exact Mass420.14
IUPAC Name(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(C)cc(C)cc2C1[Si](C)(C)C1c2sc(C)cc2-c2cc(C)sc21
InChIInChI=1S/C25H28S2Si/c1-13-8-14(2)18-10-15(3)24(21(18)9-13)28(6,7)25-22-19(11-16(4)26-22)20-12-17(5)27-23(20)25/h8-12,24-25H,1-7H3
InChIKeyLQNOKZGVUPKJDP-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)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-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane?
The IUPAC name of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane (CID 59735671) is (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane.
What is the SMILES notation for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane?
The canonical SMILES for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane is CC1=Cc2c(C)cc(C)cc2C1[Si](C)(C)C1c2sc(C)cc2-c2cc(C)sc21.
What is the InChIKey of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane?
The InChIKey is LQNOKZGVUPKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28S2Si/c1-13-8-14(2)18-10-15(3)24(21(18)9-13)28(6,7)25-22-19(11-16(4)26-22)20-12-17(5)27-23(20)25/h8-12,24-25H,1-7H3.
What are the key properties of (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane?
(4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane has a molecular weight of 420.72 g/mol, XLogP of 8.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,10-dimethyl-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)-dimethyl-(2,4,6-trimethyl-1H-inden-1-yl)silane is sourced from PubChem (CID 59735671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).