ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate

C24H36O5Si — CID 15054808

IUPACethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate
SMILESCCOC(=O)C12C(=O)OC3=C(CCC3)C1CC(O[Si](C)(C)C(C)(C)C)=C1CCCC12
InChIInChI=1S/C24H36O5Si/c1-7-27-21(25)24-17-12-8-10-15(17)20(29-30(5,6)23(2,3)4)14-18(24)16-11-9-13-19(16)28-22(24)26/h17-18H,7-14H2,1-6H3
InChIKeyAMPZHGVVFJGSIV-UHFFFAOYSA-N
MW432.63 g/mol
LogP5.63
Rot. Bonds4

About ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate

ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate (PubChem CID 15054808) has the molecular formula C24H36O5Si and a molecular weight of 432.63 g/mol. Its IUPAC name is ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate.

Molecular Properties

Compound Nameethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate
PubChem CID15054808
Molecular FormulaC24H36O5Si
Molecular Weight432.63 g/mol
Exact Mass432.23
IUPAC Nameethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate
SMILESCCOC(=O)C12C(=O)OC3=C(CCC3)C1CC(O[Si](C)(C)C(C)(C)C)=C1CCCC12
InChIInChI=1S/C24H36O5Si/c1-7-27-21(25)24-17-12-8-10-15(17)20(29-30(5,6)23(2,3)4)14-18(24)16-11-9-13-19(16)28-22(24)26/h17-18H,7-14H2,1-6H3
InChIKeyAMPZHGVVFJGSIV-UHFFFAOYSA-N
XLogP5.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate?
The IUPAC name of ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate (CID 15054808) is ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate.
What is the SMILES notation for ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate?
The canonical SMILES for ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate is CCOC(=O)C12C(=O)OC3=C(CCC3)C1CC(O[Si](C)(C)C(C)(C)C)=C1CCCC12.
What is the InChIKey of ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate?
The InChIKey is AMPZHGVVFJGSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O5Si/c1-7-27-21(25)24-17-12-8-10-15(17)20(29-30(5,6)23(2,3)4)14-18(24)16-11-9-13-19(16)28-22(24)26/h17-18H,7-14H2,1-6H3.
What are the key properties of ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate?
ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate has a molecular weight of 432.63 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 15-[tert-butyl(dimethyl)silyl]oxy-8-oxo-7-oxatetracyclo[7.7.0.02,6.010,14]hexadeca-2(6),14-diene-9-carboxylate is sourced from PubChem (CID 15054808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).