(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol

C24H42O2Si — CID 10318265

IUPAC(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol
SMILESCC(C)[Si](O[C@H]1[C@H]2CCC[C@@H]1[C@@H]1C3(CC3)[C@H]2C=C[C@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C24H42O2Si/c1-15(2)27(16(3)4,17(5)6)26-21-18-9-8-10-19(21)22-23(7,25)12-11-20(18)24(22)13-14-24/h11-12,15-22,25H,8-10,13-14H2,1-7H3/t18-,19-,20-,21-,22-,23-/m0/s1
InChIKeyFZNDKFRMIGNFQE-LLINQDLYSA-N
MW390.68 g/mol
LogP6.31
Rot. Bonds5

About (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol

(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol (PubChem CID 10318265) has the molecular formula C24H42O2Si and a molecular weight of 390.68 g/mol. Its IUPAC name is (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol.

Molecular Properties

Compound Name(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol
PubChem CID10318265
Molecular FormulaC24H42O2Si
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Name(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol
SMILESCC(C)[Si](O[C@H]1[C@H]2CCC[C@@H]1[C@@H]1C3(CC3)[C@H]2C=C[C@]1(C)O)(C(C)C)C(C)C
InChIInChI=1S/C24H42O2Si/c1-15(2)27(16(3)4,17(5)6)26-21-18-9-8-10-19(21)22-23(7,25)12-11-20(18)24(22)13-14-24/h11-12,15-22,25H,8-10,13-14H2,1-7H3/t18-,19-,20-,21-,22-,23-/m0/s1
InChIKeyFZNDKFRMIGNFQE-LLINQDLYSA-N
XLogP6.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 56.31
H-Bond Donors ≤ 51
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

(1'R,2'R,3'S,6'S,7'S,11'R)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol
CID 146019015
(1'R,2'R,3'R,6'R,7'S,9'S,11'R)-4'-chloro-3'-methyl-9',11'-bis[tri(propan-2-yl)silyloxy]spiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol
CID 146020477
(1S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-1-[(E)-3-trimethylsilyloxybut-1-enyl]cyclohexan-1-ol
CID 10525891
(1S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexan-1-ol
CID 10665040
(1S,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexan-1-ol
CID 10688696
(1R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexan-1-ol
CID 10736111
(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-1-[(E)-3-trimethylsilyloxybut-1-enyl]cyclohexan-1-ol
CID 10835623
(1S,4aR,4bR,7R,8aS,10aR)-7-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-1,4b,8,8-tetramethyl-1,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-4-ol
CID 10502149
(1R,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,2,6-trimethyl-1-[(E)-3-trimethylsilyloxybut-1-enyl]cyclohexan-1-ol
CID 10597914
(1R,4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-3-hydroxybut-1-enyl]-2,2,6-trimethylcyclohexan-1-ol
CID 10712364
(1S,2R,4S,8R)-8-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2-ethenyl-1-methylbicyclo[2.2.2]oct-5-en-2-ol
CID 10893855
(1S,2S,4S,8R)-8-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-2-ethenyl-1-methylbicyclo[2.2.2]oct-5-en-2-ol
CID 10926599

Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol?
The IUPAC name of (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol (CID 10318265) is (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol.
What is the SMILES notation for (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol?
The canonical SMILES for (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol is CC(C)[Si](O[C@H]1[C@H]2CCC[C@@H]1[C@@H]1C3(CC3)[C@H]2C=C[C@]1(C)O)(C(C)C)C(C)C.
What is the InChIKey of (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol?
The InChIKey is FZNDKFRMIGNFQE-LLINQDLYSA-N. The full InChI is InChI=1S/C24H42O2Si/c1-15(2)27(16(3)4,17(5)6)26-21-18-9-8-10-19(21)22-23(7,25)12-11-20(18)24(22)13-14-24/h11-12,15-22,25H,8-10,13-14H2,1-7H3/t18-,19-,20-,21-,22-,23-/m0/s1.
What are the key properties of (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol?
(1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol has a molecular weight of 390.68 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,3'S,6'S,7'S,11'S)-3'-methyl-11'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,12'-tricyclo[5.3.1.12,6]dodec-4-ene]-3'-ol is sourced from PubChem (CID 10318265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).