(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate

C17H23NO4Si — CID 134906936

IUPAC(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate
SMILESCOc1c([Si](C)(C)C)c(C(C)=O)c(OC(C)=O)c2ccn(C)c12
InChIInChI=1S/C17H23NO4Si/c1-10(19)13-15(22-11(2)20)12-8-9-18(3)14(12)16(21-4)17(13)23(5,6)7/h8-9H,1-7H3
InChIKeyJSBWTOBMAZXERV-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.86
Rot. Bonds4

About (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate

(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate (PubChem CID 134906936) has the molecular formula C17H23NO4Si and a molecular weight of 333.46 g/mol. Its IUPAC name is (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate.

Molecular Properties

Compound Name(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate
PubChem CID134906936
Molecular FormulaC17H23NO4Si
Molecular Weight333.46 g/mol
Exact Mass333.14
IUPAC Name(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate
SMILESCOc1c([Si](C)(C)C)c(C(C)=O)c(OC(C)=O)c2ccn(C)c12
InChIInChI=1S/C17H23NO4Si/c1-10(19)13-15(22-11(2)20)12-8-9-18(3)14(12)16(21-4)17(13)23(5,6)7/h8-9H,1-7H3
InChIKeyJSBWTOBMAZXERV-UHFFFAOYSA-N
XLogP2.86
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate?
The IUPAC name of (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate (CID 134906936) is (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate.
What is the SMILES notation for (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate?
The canonical SMILES for (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate is COc1c([Si](C)(C)C)c(C(C)=O)c(OC(C)=O)c2ccn(C)c12.
What is the InChIKey of (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate?
The InChIKey is JSBWTOBMAZXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4Si/c1-10(19)13-15(22-11(2)20)12-8-9-18(3)14(12)16(21-4)17(13)23(5,6)7/h8-9H,1-7H3.
What are the key properties of (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate?
(5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate has a molecular weight of 333.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-7-methoxy-1-methyl-6-trimethylsilylindol-4-yl) acetate is sourced from PubChem (CID 134906936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).