5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C26H32N4O2Si — CID 10623851

IUPAC5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc21
InChIInChI=1S/C26H32N4O2Si/c1-8-30-23-20(10-9-17-27-23)25(31)29(5)22-16-15-21(28-24(22)30)18-11-13-19(14-12-18)32-33(6,7)26(2,3)4/h9-17H,8H2,1-7H3
InChIKeyIVGMIUWGBQGIQT-UHFFFAOYSA-N
MW460.65 g/mol
LogP6.28
Rot. Bonds4

About 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 10623851) has the molecular formula C26H32N4O2Si and a molecular weight of 460.65 g/mol. Its IUPAC name is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID10623851
Molecular FormulaC26H32N4O2Si
Molecular Weight460.65 g/mol
Exact Mass460.23
IUPAC Name5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESCCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc21
InChIInChI=1S/C26H32N4O2Si/c1-8-30-23-20(10-9-17-27-23)25(31)29(5)22-16-15-21(28-24(22)30)18-11-13-19(14-12-18)32-33(6,7)26(2,3)4/h9-17H,8H2,1-7H3
InChIKeyIVGMIUWGBQGIQT-UHFFFAOYSA-N
XLogP6.28
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.65
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 10623851) is 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(O[Si](C)(C)C(C)(C)C)cc3)nc21.
What is the InChIKey of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is IVGMIUWGBQGIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2Si/c1-8-30-23-20(10-9-17-27-23)25(31)29(5)22-16-15-21(28-24(22)30)18-11-13-19(14-12-18)32-33(6,7)26(2,3)4/h9-17H,8H2,1-7H3.
What are the key properties of 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 460.65 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 10623851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).