tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane

C60H94O7Si2 — CID 15953295

IUPACtert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane
SMILESC=C(C)C/C=C/C(=C)C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCOC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2/C=C/C=C/[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C60H94O7Si2/c1-44(2)29-28-31-48(9)41-50(11)57(67-68(45(3)4,46(5)6)47(7)8)58(62-43-61-17)56-40-39-51(64-56)32-25-27-38-55-54(65-60(15,16)66-55)37-26-24-30-49(10)42-63-69(59(12,13)14,52-33-20-18-21-34-52)53-35-22-19-23-36-53/h18-24,26-28,30-31,33-38,45-47,49-51,54-58H,1,9,25,29,32,39-43H2,2-8,10-17H3/b30-24+,31-28+,37-26+,38-27+/t49-,50-,51+,54-,55-,56+,57-,58-/m1/s1
InChIKeyFJEXDDFJMFQUAU-KQDZNLJUSA-N
MW983.58 g/mol
LogP14.37
Rot. Bonds28

About tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane

tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane (PubChem CID 15953295) has the molecular formula C60H94O7Si2 and a molecular weight of 983.58 g/mol. Its IUPAC name is tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane
PubChem CID15953295
Molecular FormulaC60H94O7Si2
Molecular Weight983.58 g/mol
Exact Mass982.65
IUPAC Nametert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane
SMILESC=C(C)C/C=C/C(=C)C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCOC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2/C=C/C=C/[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C60H94O7Si2/c1-44(2)29-28-31-48(9)41-50(11)57(67-68(45(3)4,46(5)6)47(7)8)58(62-43-61-17)56-40-39-51(64-56)32-25-27-38-55-54(65-60(15,16)66-55)37-26-24-30-49(10)42-63-69(59(12,13)14,52-33-20-18-21-34-52)53-35-22-19-23-36-53/h18-24,26-28,30-31,33-38,45-47,49-51,54-58H,1,9,25,29,32,39-43H2,2-8,10-17H3/b30-24+,31-28+,37-26+,38-27+/t49-,50-,51+,54-,55-,56+,57-,58-/m1/s1
InChIKeyFJEXDDFJMFQUAU-KQDZNLJUSA-N
XLogP14.37
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.58
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane (CID 15953295) is tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane is C=C(C)C/C=C/C(=C)C[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCOC)[C@@H]1CC[C@H](CC/C=C/[C@H]2OC(C)(C)O[C@@H]2/C=C/C=C/[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane?
The InChIKey is FJEXDDFJMFQUAU-KQDZNLJUSA-N. The full InChI is InChI=1S/C60H94O7Si2/c1-44(2)29-28-31-48(9)41-50(11)57(67-68(45(3)4,46(5)6)47(7)8)58(62-43-61-17)56-40-39-51(64-56)32-25-27-38-55-54(65-60(15,16)66-55)37-26-24-30-49(10)42-63-69(59(12,13)14,52-33-20-18-21-34-52)53-35-22-19-23-36-53/h18-24,26-28,30-31,33-38,45-47,49-51,54-58H,1,9,25,29,32,39-43H2,2-8,10-17H3/b30-24+,31-28+,37-26+,38-27+/t49-,50-,51+,54-,55-,56+,57-,58-/m1/s1.
What are the key properties of tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane?
tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane has a molecular weight of 983.58 g/mol, XLogP of 14.37, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3E,5E)-6-[(4R,5R)-5-[(E)-4-[(2S,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]but-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylhexa-3,5-dienoxy]-diphenylsilane is sourced from PubChem (CID 15953295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).