(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione

C24H28O6Si — CID 100971020

IUPAC(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione
SMILESCOc1cc2c(c(OC)c1OC)-c1cc([Si](C)(C)C)ccc1C(=O)[C@H]1COC(=O)[C@@H]1C2
InChIInChI=1S/C24H28O6Si/c1-27-19-10-13-9-17-18(12-30-24(17)26)21(25)15-8-7-14(31(4,5)6)11-16(15)20(13)23(29-3)22(19)28-2/h7-8,10-11,17-18H,9,12H2,1-6H3/t17-,18+/m1/s1
InChIKeyWLLOERVGEKUGEI-MSOLQXFVSA-N
MW440.57 g/mol
LogP3.45
Rot. Bonds4

About (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione

(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione (PubChem CID 100971020) has the molecular formula C24H28O6Si and a molecular weight of 440.57 g/mol. Its IUPAC name is (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione.

Molecular Properties

Compound Name(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione
PubChem CID100971020
Molecular FormulaC24H28O6Si
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione
SMILESCOc1cc2c(c(OC)c1OC)-c1cc([Si](C)(C)C)ccc1C(=O)[C@H]1COC(=O)[C@@H]1C2
InChIInChI=1S/C24H28O6Si/c1-27-19-10-13-9-17-18(12-30-24(17)26)21(25)15-8-7-14(31(4,5)6)11-16(15)20(13)23(29-3)22(19)28-2/h7-8,10-11,17-18H,9,12H2,1-6H3/t17-,18+/m1/s1
InChIKeyWLLOERVGEKUGEI-MSOLQXFVSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione with MolForge

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Related Compounds

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CID 102061567
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Frequently Asked Questions

What is the IUPAC name of (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione?
The IUPAC name of (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione (CID 100971020) is (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione.
What is the SMILES notation for (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione?
The canonical SMILES for (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione is COc1cc2c(c(OC)c1OC)-c1cc([Si](C)(C)C)ccc1C(=O)[C@H]1COC(=O)[C@@H]1C2.
What is the InChIKey of (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione?
The InChIKey is WLLOERVGEKUGEI-MSOLQXFVSA-N. The full InChI is InChI=1S/C24H28O6Si/c1-27-19-10-13-9-17-18(12-30-24(17)26)21(25)15-8-7-14(31(4,5)6)11-16(15)20(13)23(29-3)22(19)28-2/h7-8,10-11,17-18H,9,12H2,1-6H3/t17-,18+/m1/s1.
What are the key properties of (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione?
(9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione has a molecular weight of 440.57 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,13R)-17,18,19-trimethoxy-4-trimethylsilyl-11-oxatetracyclo[13.4.0.02,7.09,13]nonadeca-1(19),2(7),3,5,15,17-hexaene-8,12-dione is sourced from PubChem (CID 100971020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).