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

C21H38O2Si — CID 139254989

IUPAC[(1S,9S,10R)-9-methyl-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@@]23CCCCC2C=C[C@]1(C)O3)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-15(2)24(16(3)4,17(5)6)22-19-14-21-12-9-8-10-18(21)11-13-20(19,7)23-21/h11,13,15-19H,8-10,12,14H2,1-7H3/t18?,19-,20+,21+/m1/s1
InChIKeyMTVQIFBPBOYRJP-IWORHSITSA-N
MW350.62 g/mol
LogP6.22
Rot. Bonds5

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

[(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (PubChem CID 139254989) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is [(1S,9S,10R)-9-methyl-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)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
PubChem CID139254989
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name[(1S,9S,10R)-9-methyl-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@@]23CCCCC2C=C[C@]1(C)O3)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-15(2)24(16(3)4,17(5)6)22-19-14-21-12-9-8-10-18(21)11-13-20(19,7)23-21/h11,13,15-19H,8-10,12,14H2,1-7H3/t18?,19-,20+,21+/m1/s1
InChIKeyMTVQIFBPBOYRJP-IWORHSITSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.22
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)-9-methyl-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)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (CID 139254989) is [(1S,9S,10R)-9-methyl-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)-9-methyl-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)-9-methyl-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@@]23CCCCC2C=C[C@]1(C)O3)(C(C)C)C(C)C.
What is the InChIKey of [(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is MTVQIFBPBOYRJP-IWORHSITSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-15(2)24(16(3)4,17(5)6)22-19-14-21-12-9-8-10-18(21)11-13-20(19,7)23-21/h11,13,15-19H,8-10,12,14H2,1-7H3/t18?,19-,20+,21+/m1/s1.
What are the key properties of [(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
[(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 350.62 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139254989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).