(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one

C21H26O2Si — CID 132565891

IUPAC(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one
SMILESC=C(C1CCC23C=CC(=O)C(CCO2)C13)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-15(24(2,3)16-7-5-4-6-8-16)17-9-12-21-13-10-19(22)18(20(17)21)11-14-23-21/h4-8,10,13,17-18,20H,1,9,11-12,14H2,2-3H3
InChIKeyHQHPNPATINYDOO-UHFFFAOYSA-N
MW338.52 g/mol
LogP3.64
Rot. Bonds3

About (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one

(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one (PubChem CID 132565891) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one.

Molecular Properties

Compound Name(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one
PubChem CID132565891
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Name(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one
SMILESC=C(C1CCC23C=CC(=O)C(CCO2)C13)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H26O2Si/c1-15(24(2,3)16-7-5-4-6-8-16)17-9-12-21-13-10-19(22)18(20(17)21)11-14-23-21/h4-8,10,13,17-18,20H,1,9,11-12,14H2,2-3H3
InChIKeyHQHPNPATINYDOO-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one?
The IUPAC name of (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one (CID 132565891) is (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one.
What is the SMILES notation for (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one?
The canonical SMILES for (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one is C=C(C1CCC23C=CC(=O)C(CCO2)C13)[Si](C)(C)c1ccccc1.
What is the InChIKey of (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one?
The InChIKey is HQHPNPATINYDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-15(24(2,3)16-7-5-4-6-8-16)17-9-12-21-13-10-19(22)18(20(17)21)11-14-23-21/h4-8,10,13,17-18,20H,1,9,11-12,14H2,2-3H3.
What are the key properties of (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one?
(4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one has a molecular weight of 338.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[dimethyl(phenyl)silyl]ethenyl]-9-oxatricyclo[4.3.3.01,5]dodec-10-en-12-one is sourced from PubChem (CID 132565891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).