[(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

C22H40O2Si — CID 139254986

IUPAC[(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
SMILESCC(C)[Si](O[C@H]1C[C@@]23O[C@]1(C)C=C[C@H]2CCC[C@H]3C)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-15(2)25(16(3)4,17(5)6)23-20-14-22-18(7)10-9-11-19(22)12-13-21(20,8)24-22/h12-13,15-20H,9-11,14H2,1-8H3/t18-,19-,20+,21-,22+/m1/s1
InChIKeyYOBVXGIEWWAZII-BDHVOXNPSA-N
MW364.65 g/mol
LogP6.47
Rot. Bonds5

About [(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

[(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 (PubChem CID 139254986) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID139254986
Molecular FormulaC22H40O2Si
Molecular Weight364.65 g/mol
Exact Mass364.28
IUPAC Name[(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
SMILESCC(C)[Si](O[C@H]1C[C@@]23O[C@]1(C)C=C[C@H]2CCC[C@H]3C)(C(C)C)C(C)C
InChIInChI=1S/C22H40O2Si/c1-15(2)25(16(3)4,17(5)6)23-20-14-22-18(7)10-9-11-19(22)12-13-21(20,8)24-22/h12-13,15-20H,9-11,14H2,1-8H3/t18-,19-,20+,21-,22+/m1/s1
InChIKeyYOBVXGIEWWAZII-BDHVOXNPSA-N
XLogP6.47
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 ≤ 56.47
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'}

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)[Si](O[C@H]1C[C@@]23O[C@]1(C)C=C[C@H]2CCC[C@H]3C)(C(C)C)C(C)C.
What is the InChIKey of [(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?
The InChIKey is YOBVXGIEWWAZII-BDHVOXNPSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-15(2)25(16(3)4,17(5)6)23-20-14-22-18(7)10-9-11-19(22)12-13-21(20,8)24-22/h12-13,15-20H,9-11,14H2,1-8H3/t18-,19-,20+,21-,22+/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 364.65 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 139254986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).