[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane

C23H40O4Si — CID 139255001

IUPAC[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]23CCC4(CC2C=C[C@]1(C)O3)OCCO4)(C(C)C)C(C)C
InChIInChI=1S/C23H40O4Si/c1-16(2)28(17(3)4,18(5)6)26-20-15-22-10-11-23(24-12-13-25-23)14-19(22)8-9-21(20,7)27-22/h8-9,16-20H,10-15H2,1-7H3/t19?,20-,21+,22+/m1/s1
InChIKeySIUUEQKFKGOSOR-FTMYTLCRSA-N
MW408.66 g/mol
LogP5.58
Rot. Bonds5

About [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane

[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane (PubChem CID 139255001) has the molecular formula C23H40O4Si and a molecular weight of 408.66 g/mol. Its IUPAC name is [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane
PubChem CID139255001
Molecular FormulaC23H40O4Si
Molecular Weight408.66 g/mol
Exact Mass408.27
IUPAC Name[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C[C@@]23CCC4(CC2C=C[C@]1(C)O3)OCCO4)(C(C)C)C(C)C
InChIInChI=1S/C23H40O4Si/c1-16(2)28(17(3)4,18(5)6)26-20-15-22-10-11-23(24-12-13-25-23)14-19(22)8-9-21(20,7)27-22/h8-9,16-20H,10-15H2,1-7H3/t19?,20-,21+,22+/m1/s1
InChIKeySIUUEQKFKGOSOR-FTMYTLCRSA-N
XLogP5.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane (CID 139255001) is [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C[C@@]23CCC4(CC2C=C[C@]1(C)O3)OCCO4)(C(C)C)C(C)C.
What is the InChIKey of [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is SIUUEQKFKGOSOR-FTMYTLCRSA-N. The full InChI is InChI=1S/C23H40O4Si/c1-16(2)28(17(3)4,18(5)6)26-20-15-22-10-11-23(24-12-13-25-23)14-19(22)8-9-21(20,7)27-22/h8-9,16-20H,10-15H2,1-7H3/t19?,20-,21+,22+/m1/s1.
What are the key properties of [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane?
[(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 408.66 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1'S,9'S,10'R)-9'-methylspiro[1,3-dioxolane-2,4'-12-oxatricyclo[7.2.1.01,6]dodec-7-ene]-10'-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139255001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).