5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol

C22H33NO2Si — CID 78049395

IUPAC5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)C=CCCCC3O
InChIInChI=1S/C22H33NO2Si/c1-22(2,3)26(5,6)25-15-18-12-17-13-19-16(14-20(17)23(18)4)10-8-7-9-11-21(19)24/h8,10,12-14,21,24H,7,9,11,15H2,1-6H3
InChIKeyXTGIBYXFVNTSOW-UHFFFAOYSA-N
MW371.60 g/mol
LogP5.93
Rot. Bonds3

About 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol

5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol (PubChem CID 78049395) has the molecular formula C22H33NO2Si and a molecular weight of 371.60 g/mol. Its IUPAC name is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol.

Molecular Properties

Compound Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol
PubChem CID78049395
Molecular FormulaC22H33NO2Si
Molecular Weight371.60 g/mol
Exact Mass371.23
IUPAC Name5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol
SMILESCn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)C=CCCCC3O
InChIInChI=1S/C22H33NO2Si/c1-22(2,3)26(5,6)25-15-18-12-17-13-19-16(14-20(17)23(18)4)10-8-7-9-11-21(19)24/h8,10,12-14,21,24H,7,9,11,15H2,1-6H3
InChIKeyXTGIBYXFVNTSOW-UHFFFAOYSA-N
XLogP5.93
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.60
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol?
The IUPAC name of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol (CID 78049395) is 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol.
What is the SMILES notation for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol?
The canonical SMILES for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol is Cn1c(CO[Si](C)(C)C(C)(C)C)cc2cc3c(cc21)C=CCCCC3O.
What is the InChIKey of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol?
The InChIKey is XTGIBYXFVNTSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2Si/c1-22(2,3)26(5,6)25-15-18-12-17-13-19-16(14-20(17)23(18)4)10-8-7-9-11-21(19)24/h8,10,12-14,21,24H,7,9,11,15H2,1-6H3.
What are the key properties of 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol?
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol has a molecular weight of 371.60 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-4-azatricyclo[7.6.0.03,7]pentadeca-1(9),2,5,7,14-pentaen-10-ol is sourced from PubChem (CID 78049395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).