trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

C17H26O2Si — CID 58879115

IUPACtrimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCC1(C(=O)O[Si](C)(C)C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2Si/c1-17(16(18)19-20(2,3)4)9-12-8-13(17)15-11-6-5-10(7-11)14(12)15/h5-6,10-15H,7-9H2,1-4H3
InChIKeyJZICRSDJTAAPHT-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.85
Rot. Bonds2

About trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 58879115) has the molecular formula C17H26O2Si and a molecular weight of 290.48 g/mol. Its IUPAC name is trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID58879115
Molecular FormulaC17H26O2Si
Molecular Weight290.48 g/mol
Exact Mass290.17
IUPAC Nametrimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCC1(C(=O)O[Si](C)(C)C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H26O2Si/c1-17(16(18)19-20(2,3)4)9-12-8-13(17)15-11-6-5-10(7-11)14(12)15/h5-6,10-15H,7-9H2,1-4H3
InChIKeyJZICRSDJTAAPHT-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 58879115) is trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is CC1(C(=O)O[Si](C)(C)C)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is JZICRSDJTAAPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2Si/c1-17(16(18)19-20(2,3)4)9-12-8-13(17)15-11-6-5-10(7-11)14(12)15/h5-6,10-15H,7-9H2,1-4H3.
What are the key properties of trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 290.48 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 58879115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).