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

C24H44O2Si — CID 139254994

IUPAC[(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[C@]12C=CC3CCCC[C@@]3(C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C24H44O2Si/c1-8-9-14-23-16-13-21-12-10-11-15-24(21,26-23)17-22(23)25-27(18(2)3,19(4)5)20(6)7/h13,16,18-22H,8-12,14-15,17H2,1-7H3/t21?,22-,23+,24+/m1/s1
InChIKeyHNKSSUGTFDKDHH-KCNMBCDYSA-N
MW392.70 g/mol
LogP7.40
Rot. Bonds8

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

[(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (PubChem CID 139254994) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is [(1S,9S,10R)-9-butyl-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-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
PubChem CID139254994
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Name[(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC[C@]12C=CC3CCCC[C@@]3(C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)O2
InChIInChI=1S/C24H44O2Si/c1-8-9-14-23-16-13-21-12-10-11-15-24(21,26-23)17-22(23)25-27(18(2)3,19(4)5)20(6)7/h13,16,18-22H,8-12,14-15,17H2,1-7H3/t21?,22-,23+,24+/m1/s1
InChIKeyHNKSSUGTFDKDHH-KCNMBCDYSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 57.40
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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Related Compounds

[(1R,2R,6R,9S,10R)-2,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254982
tert-butyl-dimethyl-[[(1S,2S,6R,9S,10R)-9-methyl-10-tri(propan-2-yl)silyloxy-12-oxatricyclo[7.2.1.01,6]dodec-7-en-2-yl]oxy]silane
CID 139254983
[(1S,2R,6R,9R,10S)-2,9-dimethyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254986
tert-butyl-dimethyl-[[(1R,2S,6R,9R,10S)-9-methyl-10-tri(propan-2-yl)silyloxy-12-oxatricyclo[7.2.1.01,6]dodec-7-en-2-yl]oxy]silane
CID 139254987
[(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
[(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
tert-butyl-dimethyl-[[(1S,9S,10R)-10-tri(propan-2-yl)silyloxy-12-oxatricyclo[7.2.1.01,6]dodec-7-en-9-yl]methoxy]silane
CID 139254991
[(1S,9S,10R)-9-ethenyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254993
[(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
(-)-1R,2R,6S,8S-10-tert-butyldimethylsiloxy-8-tert-butyldimethylsiloxymethyl-2-methyl-12-oxatricyclo[6.3.1.0<1,6>]dodec-4,9-diene
CID 145925770
(-)-1R,2R,6S,8S-10-tert-butyldimethylsiloxy-8-tert-butyldimethylsiloxymethyl-2-methyl-12-oxatricyclo[6.3.1.0<1,6>]dodec-4,10-diene
CID 145925771
tert-butyl-[[(1S,2R,4R)-5-(cyclopenten-1-yl)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]-dimethylsilane
CID 172571323

Frequently Asked Questions

What is the IUPAC name of [(1S,9S,10R)-9-butyl-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-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane (CID 139254994) is [(1S,9S,10R)-9-butyl-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-butyl-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-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane is CCCC[C@]12C=CC3CCCC[C@@]3(C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C)O2.
What is the InChIKey of [(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is HNKSSUGTFDKDHH-KCNMBCDYSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-8-9-14-23-16-13-21-12-10-11-15-24(21,26-23)17-22(23)25-27(18(2)3,19(4)5)20(6)7/h13,16,18-22H,8-12,14-15,17H2,1-7H3/t21?,22-,23+,24+/m1/s1.
What are the key properties of [(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane?
[(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 392.70 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,9S,10R)-9-butyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 139254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).