1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one

C17H28O3Si — CID 11243782

IUPAC1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one
SMILESCC(=O)C[C@@]1(O[Si](C)(C)C)C[C@@H]2C=C3CCCC[C@H]1[C@@H]3O2
InChIInChI=1S/C17H28O3Si/c1-12(18)10-17(20-21(2,3)4)11-14-9-13-7-5-6-8-15(17)16(13)19-14/h9,14-16H,5-8,10-11H2,1-4H3/t14-,15-,16+,17+/m0/s1
InChIKeyQAHPBAPSYXETMH-MWDXBVQZSA-N
MW308.49 g/mol
LogP3.84
Rot. Bonds4

About 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one

1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one (PubChem CID 11243782) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one
PubChem CID11243782
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one
SMILESCC(=O)C[C@@]1(O[Si](C)(C)C)C[C@@H]2C=C3CCCC[C@H]1[C@@H]3O2
InChIInChI=1S/C17H28O3Si/c1-12(18)10-17(20-21(2,3)4)11-14-9-13-7-5-6-8-15(17)16(13)19-14/h9,14-16H,5-8,10-11H2,1-4H3/t14-,15-,16+,17+/m0/s1
InChIKeyQAHPBAPSYXETMH-MWDXBVQZSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one with MolForge

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Related Compounds

1-[(1R,2R,4R,5S)-2,4-dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]propan-2-one
CID 134879242
1-[(1R,3S,4S,10S)-3-hydroxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one
CID 11287816
1-[(2R,3S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-(2-methylprop-1-enyl)oxan-2-yl]propan-2-one
CID 24881633
(1S,7R,9S,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-methyl-12-oxatricyclo[7.2.1.02,7]dodec-2-en-4-one
CID 53248020
1-(3-Trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl)propan-2-one
CID 72766484
1-(2,4-Dimethyl-3-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)propan-2-one
CID 177600366

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one?
The IUPAC name of 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one (CID 11243782) is 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one.
What is the SMILES notation for 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one?
The canonical SMILES for 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one is CC(=O)C[C@@]1(O[Si](C)(C)C)C[C@@H]2C=C3CCCC[C@H]1[C@@H]3O2.
What is the InChIKey of 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one?
The InChIKey is QAHPBAPSYXETMH-MWDXBVQZSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-12(18)10-17(20-21(2,3)4)11-14-9-13-7-5-6-8-15(17)16(13)19-14/h9,14-16H,5-8,10-11H2,1-4H3/t14-,15-,16+,17+/m0/s1.
What are the key properties of 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one?
1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one has a molecular weight of 308.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S,4S,10S)-3-trimethylsilyloxy-11-oxatricyclo[7.2.1.04,10]dodec-9(12)-en-3-yl]propan-2-one is sourced from PubChem (CID 11243782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).