2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol

C20H31NO2Si — CID 101254997

IUPAC2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cccc2c3c(n(COCC[Si](C)(C)C)c12)CCC3
InChIInChI=1S/C20H31NO2Si/c1-20(2,22)17-10-6-9-16-15-8-7-11-18(15)21(19(16)17)14-23-12-13-24(3,4)5/h6,9-10,22H,7-8,11-14H2,1-5H3
InChIKeyAOVBFGIVRYPGCL-UHFFFAOYSA-N
MW345.56 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol

2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol (PubChem CID 101254997) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol
PubChem CID101254997
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cccc2c3c(n(COCC[Si](C)(C)C)c12)CCC3
InChIInChI=1S/C20H31NO2Si/c1-20(2,22)17-10-6-9-16-15-8-7-11-18(15)21(19(16)17)14-23-12-13-24(3,4)5/h6,9-10,22H,7-8,11-14H2,1-5H3
InChIKeyAOVBFGIVRYPGCL-UHFFFAOYSA-N
XLogP4.67
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol (CID 101254997) is 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol is CC(C)(O)c1cccc2c3c(n(COCC[Si](C)(C)C)c12)CCC3.
What is the InChIKey of 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol?
The InChIKey is AOVBFGIVRYPGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-20(2,22)17-10-6-9-16-15-8-7-11-18(15)21(19(16)17)14-23-12-13-24(3,4)5/h6,9-10,22H,7-8,11-14H2,1-5H3.
What are the key properties of 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol?
2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol has a molecular weight of 345.56 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-trimethylsilylethoxymethyl)-2,3-dihydro-1H-cyclopenta[b]indol-5-yl]propan-2-ol is sourced from PubChem (CID 101254997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).