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

C17H24ClNO2Si — CID 89421812

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc(C=O)c(Cl)cc21
InChIInChI=1S/C17H24ClNO2Si/c1-17(2,3)22(5,6)21-11-14-8-12-7-13(10-20)15(18)9-16(12)19(14)4/h7-10H,11H2,1-6H3
InChIKeyJWJWLKXLMKMTON-UHFFFAOYSA-N
MW337.92 g/mol
LogP5.17
Rot. Bonds4

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

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde (PubChem CID 89421812) has the molecular formula C17H24ClNO2Si and a molecular weight of 337.92 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde
PubChem CID89421812
Molecular FormulaC17H24ClNO2Si
Molecular Weight337.92 g/mol
Exact Mass337.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc(C=O)c(Cl)cc21
InChIInChI=1S/C17H24ClNO2Si/c1-17(2,3)22(5,6)21-11-14-8-12-7-13(10-20)15(18)9-16(12)19(14)4/h7-10H,11H2,1-6H3
InChIKeyJWJWLKXLMKMTON-UHFFFAOYSA-N
XLogP5.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.92
LogP ≤ 55.17
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-chloro-1-methylindole-5-carbaldehyde?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde (CID 89421812) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde is Cn1c(CO[Si](C)(C)C(C)(C)C)cc2cc(C=O)c(Cl)cc21.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde?
The InChIKey is JWJWLKXLMKMTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2Si/c1-17(2,3)22(5,6)21-11-14-8-12-7-13(10-20)15(18)9-16(12)19(14)4/h7-10H,11H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-chloro-1-methylindole-5-carbaldehyde has a molecular weight of 337.92 g/mol, XLogP of 5.17, 4 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-chloro-1-methylindole-5-carbaldehyde is sourced from PubChem (CID 89421812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).