2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol

C21H33NO2Si — CID 71285552

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3O
InChIInChI=1S/C21H33NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13,20,23H,7-10,14H2,1-6H3
InChIKeyWDUFKKBICYJDCL-UHFFFAOYSA-N
MW359.59 g/mol
LogP5.46
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol (PubChem CID 71285552) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol
PubChem CID71285552
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3O
InChIInChI=1S/C21H33NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13,20,23H,7-10,14H2,1-6H3
InChIKeyWDUFKKBICYJDCL-UHFFFAOYSA-N
XLogP5.46
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.59
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol 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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol (CID 71285552) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol is Cn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)CCCCC3O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol?
The InChIKey is WDUFKKBICYJDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-21(2,3)25(5,6)24-14-17-11-16-12-18-15(13-19(16)22(17)4)9-7-8-10-20(18)23/h11-13,20,23H,7-10,14H2,1-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol has a molecular weight of 359.59 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]indol-5-ol is sourced from PubChem (CID 71285552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).