ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate

C25H35NO8Si — CID 6477438

IUPACethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate
SMILESCCOC(=O)C12CC(/C=C\OC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O
InChIInChI=1S/C25H35NO8Si/c1-8-33-22(29)24-15-23(10-12-30-2,34-35(5,6)7)25(24)17-14-19(32-4)18(31-3)13-16(17)9-11-26(25)21(28)20(24)27/h10,12-14,20,27H,8-9,11,15H2,1-7H3/b12-10-
InChIKeyPHUOHFFITWDRJU-BENRWUELSA-N
MW505.64 g/mol
LogP2.36
Rot. Bonds8

About ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate

ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate (PubChem CID 6477438) has the molecular formula C25H35NO8Si and a molecular weight of 505.64 g/mol. Its IUPAC name is ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate.

Molecular Properties

Compound Nameethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate
PubChem CID6477438
Molecular FormulaC25H35NO8Si
Molecular Weight505.64 g/mol
Exact Mass505.21
IUPAC Nameethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate
SMILESCCOC(=O)C12CC(/C=C\OC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O
InChIInChI=1S/C25H35NO8Si/c1-8-33-22(29)24-15-23(10-12-30-2,34-35(5,6)7)25(24)17-14-19(32-4)18(31-3)13-16(17)9-11-26(25)21(28)20(24)27/h10,12-14,20,27H,8-9,11,15H2,1-7H3/b12-10-
InChIKeyPHUOHFFITWDRJU-BENRWUELSA-N
XLogP2.36
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate?
The IUPAC name of ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate (CID 6477438) is ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate.
What is the SMILES notation for ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate?
The canonical SMILES for ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate is CCOC(=O)C12CC(/C=C\OC)(O[Si](C)(C)C)C13c1cc(OC)c(OC)cc1CCN3C(=O)C2O.
What is the InChIKey of ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate?
The InChIKey is PHUOHFFITWDRJU-BENRWUELSA-N. The full InChI is InChI=1S/C25H35NO8Si/c1-8-33-22(29)24-15-23(10-12-30-2,34-35(5,6)7)25(24)17-14-19(32-4)18(31-3)13-16(17)9-11-26(25)21(28)20(24)27/h10,12-14,20,27H,8-9,11,15H2,1-7H3/b12-10-.
What are the key properties of ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate?
ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate has a molecular weight of 505.64 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 12-hydroxy-4,5-dimethoxy-15-[(Z)-2-methoxyethenyl]-11-oxo-15-trimethylsilyloxy-10-azatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6-triene-13-carboxylate is sourced from PubChem (CID 6477438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).