[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane

C22H40O2Si — CID 139254990

IUPAC[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]23CCCCC2(C)C=C[C@]1(C)O3)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)23-19-15-22-12-10-9-11-20(22,7)13-14-21(19,8)24-22/h13-14,16-19H,9-12,15H2,1-8H3/t19-,20?,21+,22+/m1/s1
InChIKeyOCAMMESIMRREIR-ZFYVGVSOSA-N
MW364.65 g/mol
LogP6.61
Rot. Bonds5

About [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane

[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (PubChem CID 139254990) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
PubChem CID139254990
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]23CCCCC2(C)C=C[C@]1(C)O3)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)23-19-15-22-12-10-9-11-20(22,7)13-14-21(19,8)24-22/h13-14,16-19H,9-12,15H2,1-8H3/t19-,20?,21+,22+/m1/s1
InChIKeyOCAMMESIMRREIR-ZFYVGVSOSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (CID 139254990) is [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C[C@@]23CCCCC2(C)C=C[C@]1(C)O3)(C(C)C)C(C)C.
What is the InChIKey of [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is OCAMMESIMRREIR-ZFYVGVSOSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-16(2)25(17(3)4,18(5)6)23-19-15-22-12-10-9-11-20(22,7)13-14-21(19,8)24-22/h13-14,16-19H,9-12,15H2,1-8H3/t19-,20?,21+,22+/m1/s1.
What are the key properties of [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
[(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 364.65 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9S,10R)-6,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139254990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).