trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane

C18H26SSi — CID 15661127

IUPACtrimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane
SMILESCC1(C)CC(C)(C)c2cc(C#C[Si](C)(C)C)ccc2S1
InChIInChI=1S/C18H26SSi/c1-17(2)13-18(3,4)19-16-9-8-14(12-15(16)17)10-11-20(5,6)7/h8-9,12H,13H2,1-7H3
InChIKeyFOMJNJXEFLIPHL-UHFFFAOYSA-N
MW302.56 g/mol
LogP5.47
Rot. Bonds

About trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane

trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane (PubChem CID 15661127) has the molecular formula C18H26SSi and a molecular weight of 302.56 g/mol. Its IUPAC name is trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane
PubChem CID15661127
Molecular FormulaC18H26SSi
Molecular Weight302.56 g/mol
Exact Mass302.15
IUPAC Nametrimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane
SMILESCC1(C)CC(C)(C)c2cc(C#C[Si](C)(C)C)ccc2S1
InChIInChI=1S/C18H26SSi/c1-17(2)13-18(3,4)19-16-9-8-14(12-15(16)17)10-11-20(5,6)7/h8-9,12H,13H2,1-7H3
InChIKeyFOMJNJXEFLIPHL-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane (CID 15661127) is trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane is CC1(C)CC(C)(C)c2cc(C#C[Si](C)(C)C)ccc2S1.
What is the InChIKey of trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane?
The InChIKey is FOMJNJXEFLIPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26SSi/c1-17(2)13-18(3,4)19-16-9-8-14(12-15(16)17)10-11-20(5,6)7/h8-9,12H,13H2,1-7H3.
What are the key properties of trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane?
trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane has a molecular weight of 302.56 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)ethynyl]silane is sourced from PubChem (CID 15661127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).