4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde

C23H39NO3Si2 — CID 139231177

IUPAC4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
SMILESCc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(C=O)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO3Si2/c1-15-16(2)21(27-29(11,12)23(6,7)8)19-18(13-17(14-25)24-19)20(15)26-28(9,10)22(3,4)5/h13-14,24H,1-12H3
InChIKeyZMLXZNWIEZXSOL-UHFFFAOYSA-N
MW433.74 g/mol
LogP7.37
Rot. Bonds5

About 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde

4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde (PubChem CID 139231177) has the molecular formula C23H39NO3Si2 and a molecular weight of 433.74 g/mol. Its IUPAC name is 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
PubChem CID139231177
Molecular FormulaC23H39NO3Si2
Molecular Weight433.74 g/mol
Exact Mass433.25
IUPAC Name4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde
SMILESCc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(C=O)cc2c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H39NO3Si2/c1-15-16(2)21(27-29(11,12)23(6,7)8)19-18(13-17(14-25)24-19)20(15)26-28(9,10)22(3,4)5/h13-14,24H,1-12H3
InChIKeyZMLXZNWIEZXSOL-UHFFFAOYSA-N
XLogP7.37
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.74
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde?
The IUPAC name of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde (CID 139231177) is 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde is Cc1c(C)c(O[Si](C)(C)C(C)(C)C)c2[nH]c(C=O)cc2c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde?
The InChIKey is ZMLXZNWIEZXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3Si2/c1-15-16(2)21(27-29(11,12)23(6,7)8)19-18(13-17(14-25)24-19)20(15)26-28(9,10)22(3,4)5/h13-14,24H,1-12H3.
What are the key properties of 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde?
4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde has a molecular weight of 433.74 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 139231177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).