(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one

C16H26O2Si — CID 50992633

IUPAC(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one
SMILESCC1(O[Si](C)(C)C)C[C@@]23C=CC(=O)CC2C[C@@H]1CC3
InChIInChI=1S/C16H26O2Si/c1-15(18-19(2,3)4)11-16-7-5-12(15)9-13(16)10-14(17)6-8-16/h6,8,12-13H,5,7,9-11H2,1-4H3/t12-,13?,15?,16+/m0/s1
InChIKeyCVDQOYAWWFUULD-ADNDVJRGSA-N
MW278.47 g/mol
LogP3.93
Rot. Bonds2

About (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one

(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one (PubChem CID 50992633) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one.

Molecular Properties

Compound Name(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one
PubChem CID50992633
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one
SMILESCC1(O[Si](C)(C)C)C[C@@]23C=CC(=O)CC2C[C@@H]1CC3
InChIInChI=1S/C16H26O2Si/c1-15(18-19(2,3)4)11-16-7-5-12(15)9-13(16)10-14(17)6-8-16/h6,8,12-13H,5,7,9-11H2,1-4H3/t12-,13?,15?,16+/m0/s1
InChIKeyCVDQOYAWWFUULD-ADNDVJRGSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.93
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 (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one?
The IUPAC name of (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one (CID 50992633) is (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one.
What is the SMILES notation for (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one?
The canonical SMILES for (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one is CC1(O[Si](C)(C)C)C[C@@]23C=CC(=O)CC2C[C@@H]1CC3.
What is the InChIKey of (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one?
The InChIKey is CVDQOYAWWFUULD-ADNDVJRGSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-15(18-19(2,3)4)11-16-7-5-12(15)9-13(16)10-14(17)6-8-16/h6,8,12-13H,5,7,9-11H2,1-4H3/t12-,13?,15?,16+/m0/s1.
What are the key properties of (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one?
(1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one has a molecular weight of 278.47 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-9-methyl-9-trimethylsilyloxytricyclo[6.2.2.01,6]dodec-2-en-4-one is sourced from PubChem (CID 50992633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).