2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde

C19H27NO2Si — CID 89423009

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde
SMILESC=Cc1cc2c(cc1C=O)cc(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C19H27NO2Si/c1-8-14-11-18-15(9-16(14)12-21)10-17(20(18)5)13-22-23(6,7)19(2,3)4/h8-12H,1,13H2,2-7H3
InChIKeyKZCDAQHKDMFVPX-UHFFFAOYSA-N
MW329.52 g/mol
LogP5.16
Rot. Bonds5

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde (PubChem CID 89423009) has the molecular formula C19H27NO2Si and a molecular weight of 329.52 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde
PubChem CID89423009
Molecular FormulaC19H27NO2Si
Molecular Weight329.52 g/mol
Exact Mass329.18
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde
SMILESC=Cc1cc2c(cc1C=O)cc(CO[Si](C)(C)C(C)(C)C)n2C
InChIInChI=1S/C19H27NO2Si/c1-8-14-11-18-15(9-16(14)12-21)10-17(20(18)5)13-22-23(6,7)19(2,3)4/h8-12H,1,13H2,2-7H3
InChIKeyKZCDAQHKDMFVPX-UHFFFAOYSA-N
XLogP5.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde (CID 89423009) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde is C=Cc1cc2c(cc1C=O)cc(CO[Si](C)(C)C(C)(C)C)n2C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde?
The InChIKey is KZCDAQHKDMFVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2Si/c1-8-14-11-18-15(9-16(14)12-21)10-17(20(18)5)13-22-23(6,7)19(2,3)4/h8-12H,1,13H2,2-7H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde has a molecular weight of 329.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenyl-1-methylindole-5-carbaldehyde is sourced from PubChem (CID 89423009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).