tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane

C28H52O2Si2 — CID 146020461

IUPACtert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane
SMILESCC(C)[Si](OC1[C@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C28H52O2Si2/c1-18(2)32(19(3)4,20(5)6)30-26-22-16-21(29-31(10,11)27(7,8)9)17-23(26)25-13-12-24(22)28(25)14-15-28/h12-13,18-26H,14-17H2,1-11H3/t21?,22-,23+,24-,25+,26?
InChIKeyLSUCQQPFYSFSPZ-JQDFRTOYSA-N
MW476.89 g/mol
LogP8.56
Rot. Bonds7

About tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane

tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane (PubChem CID 146020461) has the molecular formula C28H52O2Si2 and a molecular weight of 476.89 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane
PubChem CID146020461
Molecular FormulaC28H52O2Si2
Molecular Weight476.89 g/mol
Exact Mass476.35
IUPAC Nametert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane
SMILESCC(C)[Si](OC1[C@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C
InChIInChI=1S/C28H52O2Si2/c1-18(2)32(19(3)4,20(5)6)30-26-22-16-21(29-31(10,11)27(7,8)9)17-23(26)25-13-12-24(22)28(25)14-15-28/h12-13,18-26H,14-17H2,1-11H3/t21?,22-,23+,24-,25+,26?
InChIKeyLSUCQQPFYSFSPZ-JQDFRTOYSA-N
XLogP8.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 58.56
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

tert-butyl-[[(1S,2S,4S,5S)-4-[2-[(1R)-1,3-dimethylcyclopent-2-en-1-yl]ethyl]-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]oxy]-dimethylsilane
CID 11749629
tri(propan-2-yl)-[(1'S,2'S,5'R,6'R)-spiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-yl]oxysilane
CID 146019012
(1'S,2'S,5'R,6'R)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-one
CID 146020456
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
[(3R,3aS,5aR,7S,9aS,9bS)-3-methoxy-3a,6,6,9a-tetramethyl-3,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-7-yl]oxy-tri(propan-2-yl)silane
CID 146166913
11beta-hydroxyandrosterone tri-TMS
CID 91746951
3beta,11beta-Dihydroxy-5alpha-androstan-17-one, TMS
CID 91748095
3beta,6alpha-Dihydroxy-5alpha-androstan-17-one, TMS
CID 91748098
5alpha-Androstan-6beta-ol-3,17-dione,tris-TMS
CID 91748382
5beta-Androstan-6beta-ol-3,17-dione,tris-TMS
CID 91748390
5alpha-Androstan-3alpha,11beta-diol-17-one, TMS
CID 91748438
5beta-Androstan-3alpha,11beta-diol-17-one, TMS
CID 91748443

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane (CID 146020461) is tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane is CC(C)[Si](OC1[C@H]2CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1[C@H]1C=C[C@@H]2C12CC2)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane?
The InChIKey is LSUCQQPFYSFSPZ-JQDFRTOYSA-N. The full InChI is InChI=1S/C28H52O2Si2/c1-18(2)32(19(3)4,20(5)6)30-26-22-16-21(29-31(10,11)27(7,8)9)17-23(26)25-13-12-24(22)28(25)14-15-28/h12-13,18-26H,14-17H2,1-11H3/t21?,22-,23+,24-,25+,26?.
What are the key properties of tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane?
tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane has a molecular weight of 476.89 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1'R,2'R,5'S,6'S)-10'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-8'-yl]oxysilane is sourced from PubChem (CID 146020461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).