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

C17H25NO4Si — CID 134906943

IUPAC(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate
SMILESCCOc1c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c2c1OC
InChIInChI=1S/C17H25NO4Si/c1-8-21-16-15(20-4)13-12(9-10-18(13)3)14(22-11(2)19)17(16)23(5,6)7/h9-10H,8H2,1-7H3
InChIKeySLFHIMRWWKSZIN-UHFFFAOYSA-N
MW335.48 g/mol
LogP3.06
Rot. Bonds5

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

(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate (PubChem CID 134906943) has the molecular formula C17H25NO4Si and a molecular weight of 335.48 g/mol. Its IUPAC name is (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate.

Molecular Properties

Compound Name(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate
PubChem CID134906943
Molecular FormulaC17H25NO4Si
Molecular Weight335.48 g/mol
Exact Mass335.16
IUPAC Name(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate
SMILESCCOc1c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c2c1OC
InChIInChI=1S/C17H25NO4Si/c1-8-21-16-15(20-4)13-12(9-10-18(13)3)14(22-11(2)19)17(16)23(5,6)7/h9-10H,8H2,1-7H3
InChIKeySLFHIMRWWKSZIN-UHFFFAOYSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 53.06
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'}

Analyze (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate?
The IUPAC name of (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate (CID 134906943) is (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate.
What is the SMILES notation for (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate?
The canonical SMILES for (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate is CCOc1c([Si](C)(C)C)c(OC(C)=O)c2ccn(C)c2c1OC.
What is the InChIKey of (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate?
The InChIKey is SLFHIMRWWKSZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4Si/c1-8-21-16-15(20-4)13-12(9-10-18(13)3)14(22-11(2)19)17(16)23(5,6)7/h9-10H,8H2,1-7H3.
What are the key properties of (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate?
(6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate has a molecular weight of 335.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-7-methoxy-1-methyl-5-trimethylsilylindol-4-yl) acetate is sourced from PubChem (CID 134906943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).