6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid

C21H32ClNO3Si — CID 23510267

IUPAC6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid
SMILESCC(C)[Si](COCCn1c(C(=O)O)cc2ccc(Cl)cc21)(C(C)C)C(C)C
InChIInChI=1S/C21H32ClNO3Si/c1-14(2)27(15(3)4,16(5)6)13-26-10-9-23-19-12-18(22)8-7-17(19)11-20(23)21(24)25/h7-8,11-12,14-16H,9-10,13H2,1-6H3,(H,24,25)
InChIKeyCRYLWUHWJNKXRT-UHFFFAOYSA-N
MW410.03 g/mol
LogP6.23
Rot. Bonds9

About 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid

6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid (PubChem CID 23510267) has the molecular formula C21H32ClNO3Si and a molecular weight of 410.03 g/mol. Its IUPAC name is 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid
PubChem CID23510267
Molecular FormulaC21H32ClNO3Si
Molecular Weight410.03 g/mol
Exact Mass409.18
IUPAC Name6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid
SMILESCC(C)[Si](COCCn1c(C(=O)O)cc2ccc(Cl)cc21)(C(C)C)C(C)C
InChIInChI=1S/C21H32ClNO3Si/c1-14(2)27(15(3)4,16(5)6)13-26-10-9-23-19-12-18(22)8-7-17(19)11-20(23)21(24)25/h7-8,11-12,14-16H,9-10,13H2,1-6H3,(H,24,25)
InChIKeyCRYLWUHWJNKXRT-UHFFFAOYSA-N
XLogP6.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid 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-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid?
The IUPAC name of 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid (CID 23510267) is 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid is CC(C)[Si](COCCn1c(C(=O)O)cc2ccc(Cl)cc21)(C(C)C)C(C)C.
What is the InChIKey of 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid?
The InChIKey is CRYLWUHWJNKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClNO3Si/c1-14(2)27(15(3)4,16(5)6)13-26-10-9-23-19-12-18(22)8-7-17(19)11-20(23)21(24)25/h7-8,11-12,14-16H,9-10,13H2,1-6H3,(H,24,25).
What are the key properties of 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid?
6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid has a molecular weight of 410.03 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[tri(propan-2-yl)silylmethoxy]ethyl]indole-2-carboxylic acid is sourced from PubChem (CID 23510267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).