trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate

C18H31NO4Si3 — CID 19890443

IUPACtrimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1cc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2[nH]1
InChIInChI=1S/C18H31NO4Si3/c1-24(2,3)21-16-11-13-10-15(18(20)23-26(7,8)9)19-14(13)12-17(16)22-25(4,5)6/h10-12,19H,1-9H3
InChIKeyCPXZDAGTYPGSOQ-UHFFFAOYSA-N
MW409.71 g/mol
LogP5.59
Rot. Bonds6

About trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate

trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate (PubChem CID 19890443) has the molecular formula C18H31NO4Si3 and a molecular weight of 409.71 g/mol. Its IUPAC name is trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate
PubChem CID19890443
Molecular FormulaC18H31NO4Si3
Molecular Weight409.71 g/mol
Exact Mass409.16
IUPAC Nametrimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1cc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2[nH]1
InChIInChI=1S/C18H31NO4Si3/c1-24(2,3)21-16-11-13-10-15(18(20)23-26(7,8)9)19-14(13)12-17(16)22-25(4,5)6/h10-12,19H,1-9H3
InChIKeyCPXZDAGTYPGSOQ-UHFFFAOYSA-N
XLogP5.59
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.71
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate?
The IUPAC name of trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate (CID 19890443) is trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate.
What is the SMILES notation for trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate?
The canonical SMILES for trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate is C[Si](C)(C)OC(=O)c1cc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)cc2[nH]1.
What is the InChIKey of trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate?
The InChIKey is CPXZDAGTYPGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4Si3/c1-24(2,3)21-16-11-13-10-15(18(20)23-26(7,8)9)19-14(13)12-17(16)22-25(4,5)6/h10-12,19H,1-9H3.
What are the key properties of trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate?
trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate has a molecular weight of 409.71 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 5,6-bis(trimethylsilyloxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 19890443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).