(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one

C28H34O4Si — CID 139255291

IUPAC(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one
SMILESCC1=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CO[C@@H]3CC(=O)O[C@@H]3C12
InChIInChI=1S/C28H34O4Si/c1-19-15-20(23-18-30-24-16-25(29)32-27(24)26(19)23)17-31-33(28(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,20,23-24,26-27H,16-18H2,1-4H3/t20-,23+,24+,26?,27-/m0/s1
InChIKeyWOHANIFYVZEQDV-HGURSNDISA-N
MW462.66 g/mol
LogP4.09
Rot. Bonds5

About (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one

(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one (PubChem CID 139255291) has the molecular formula C28H34O4Si and a molecular weight of 462.66 g/mol. Its IUPAC name is (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one.

Molecular Properties

Compound Name(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one
PubChem CID139255291
Molecular FormulaC28H34O4Si
Molecular Weight462.66 g/mol
Exact Mass462.22
IUPAC Name(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one
SMILESCC1=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CO[C@@H]3CC(=O)O[C@@H]3C12
InChIInChI=1S/C28H34O4Si/c1-19-15-20(23-18-30-24-16-25(29)32-27(24)26(19)23)17-31-33(28(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,20,23-24,26-27H,16-18H2,1-4H3/t20-,23+,24+,26?,27-/m0/s1
InChIKeyWOHANIFYVZEQDV-HGURSNDISA-N
XLogP4.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one?
The IUPAC name of (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one (CID 139255291) is (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one.
What is the SMILES notation for (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one?
The canonical SMILES for (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one is CC1=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2CO[C@@H]3CC(=O)O[C@@H]3C12.
What is the InChIKey of (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one?
The InChIKey is WOHANIFYVZEQDV-HGURSNDISA-N. The full InChI is InChI=1S/C28H34O4Si/c1-19-15-20(23-18-30-24-16-25(29)32-27(24)26(19)23)17-31-33(28(2,3)4,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-15,20,23-24,26-27H,16-18H2,1-4H3/t20-,23+,24+,26?,27-/m0/s1.
What are the key properties of (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one?
(2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one has a molecular weight of 462.66 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,9R,10R)-10-[[tert-butyl(diphenyl)silyl]oxymethyl]-12-methyl-3,7-dioxatricyclo[7.3.0.02,6]dodec-11-en-4-one is sourced from PubChem (CID 139255291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).