tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane

C30H55ClO2Si2 — CID 146020462

IUPACtert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane
SMILESCC(C)[Si](O[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@@H]1[C@H](C)C(Cl)=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C30H55ClO2Si2/c1-18(2)35(19(3)4,20(5)6)33-28-23-15-22(32-34(11,12)29(8,9)10)16-24(28)27-21(7)26(31)17-25(23)30(27)13-14-30/h17-25,27-28H,13-16H2,1-12H3/t21-,22+,23+,24-,25+,27+,28-/m1/s1
InChIKeySNBMFCWQFYJYGB-DCUKCDECSA-N
MW539.39 g/mol
LogP9.76
Rot. Bonds7

About tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane

tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane (PubChem CID 146020462) has the molecular formula C30H55ClO2Si2 and a molecular weight of 539.39 g/mol. Its IUPAC name is tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane
PubChem CID146020462
Molecular FormulaC30H55ClO2Si2
Molecular Weight539.39 g/mol
Exact Mass538.34
IUPAC Nametert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane
SMILESCC(C)[Si](O[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@@H]1[C@H](C)C(Cl)=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C30H55ClO2Si2/c1-18(2)35(19(3)4,20(5)6)33-28-23-15-22(32-34(11,12)29(8,9)10)16-24(28)27-21(7)26(31)17-25(23)30(27)13-14-30/h17-25,27-28H,13-16H2,1-12H3/t21-,22+,23+,24-,25+,27+,28-/m1/s1
InChIKeySNBMFCWQFYJYGB-DCUKCDECSA-N
XLogP9.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.39
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane 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 tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane (CID 146020462) is tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane is CC(C)[Si](O[C@@H]1[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@@H]1[C@H](C)C(Cl)=C[C@@H]2C12CC2)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane?
The InChIKey is SNBMFCWQFYJYGB-DCUKCDECSA-N. The full InChI is InChI=1S/C30H55ClO2Si2/c1-18(2)35(19(3)4,20(5)6)33-28-23-15-22(32-34(11,12)29(8,9)10)16-24(28)27-21(7)26(31)17-25(23)30(27)13-14-30/h17-25,27-28H,13-16H2,1-12H3/t21-,22+,23+,24-,25+,27+,28-/m1/s1.
What are the key properties of tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane?
tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane has a molecular weight of 539.39 g/mol, XLogP of 9.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1'R,2'R,4'S,6'S,7'R,10'S,12'R)-9'-chloro-10'-methyl-12'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[5.3.1.12,6]dodec-8-ene]-4'-yl]oxy-dimethylsilane is sourced from PubChem (CID 146020462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).