[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane

C54H100O7Si4 — CID 24796348

IUPAC[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane
SMILESC=C/C=C/CC/C=C/C=C/C=C/CC/C=C/[C@H]1OC2(CCCC2)O[C@@H]1[C@@H]1O[C@@H]([C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C54H100O7Si4/c1-18-25-26-27-28-29-30-31-32-33-34-35-36-37-40-45-49(58-54(57-45)41-38-39-42-54)51-50(61-63(16,17)53(11,12)13)47(59-62(14,15)52(8,9)10)43-46(56-51)48(60-65(22-5,23-6)24-7)44-55-64(19-2,20-3)21-4/h18,25-26,29-34,37,40,45-51H,1,19-24,27-28,35-36,38-39,41-44H2,2-17H3/b26-25+,30-29+,32-31+,34-33+,40-37+/t45-,46-,47-,48-,49+,50-,51+/m1/s1
InChIKeyLLPYYPJKSLPPSB-LPCNCIKBSA-N
MW973.73 g/mol
LogP15.92
Rot. Bonds27

About [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane

[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane (PubChem CID 24796348) has the molecular formula C54H100O7Si4 and a molecular weight of 973.73 g/mol. Its IUPAC name is [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane
PubChem CID24796348
Molecular FormulaC54H100O7Si4
Molecular Weight973.73 g/mol
Exact Mass972.65
IUPAC Name[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane
SMILESC=C/C=C/CC/C=C/C=C/C=C/CC/C=C/[C@H]1OC2(CCCC2)O[C@@H]1[C@@H]1O[C@@H]([C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C54H100O7Si4/c1-18-25-26-27-28-29-30-31-32-33-34-35-36-37-40-45-49(58-54(57-45)41-38-39-42-54)51-50(61-63(16,17)53(11,12)13)47(59-62(14,15)52(8,9)10)43-46(56-51)48(60-65(22-5,23-6)24-7)44-55-64(19-2,20-3)21-4/h18,25-26,29-34,37,40,45-51H,1,19-24,27-28,35-36,38-39,41-44H2,2-17H3/b26-25+,30-29+,32-31+,34-33+,40-37+/t45-,46-,47-,48-,49+,50-,51+/m1/s1
InChIKeyLLPYYPJKSLPPSB-LPCNCIKBSA-N
XLogP15.92
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds27
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.73
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane with MolForge

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Related Compounds

1-[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]hex-5-en-3-yloxy-tert-butyl-dimethylsilane
CID 25111398
[(3aR,4S,7aR)-6-[(E)-2-[(3aR,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]ethenyl]-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10875670
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-[(2S,3Z,5E,8R,9S,10R)-2-acetyloxy-8,9,10,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]undeca-3,5-dienyl]-6-(methoxymethyl)oxan-3-yl] acetate
CID 13830764
[(3'aR,5R,6'R,6'aR)-4-ethenyl-2',2'-dimethylspiro[2H-furan-5,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-yl]methoxy-tert-butyl-dimethylsilane
CID 46928637
tert-butyl-[[(1S,3S,4R,8R,9Z)-6,6-dimethyl-1-triethylsilyloxy-5,7-dioxatricyclo[9.3.0.04,8]tetradeca-9,11-dien-3-yl]oxy]-dimethylsilane
CID 101154491
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl]oxy-tert-butyl-dimethylsilane
CID 134973116
tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(1S)-2-ethenyl-1-triethylsilyloxycyclopent-2-en-1-yl]ethoxy]-dimethylsilane
CID 134983517
tert-butyl-[[(2S,3S)-3-[(4R,5S)-5-[(Z)-8-(2-hexyl-1,3-dioxolan-2-yl)oct-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 10793136
2-[[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(E,1R,6S)-1,6-bis(2-trimethylsilylethoxymethoxy)undec-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-[tert-butyl(dimethyl)silyl]oxyhexoxy]methoxy]ethyl-trimethylsilane
CID 10510109
tert-butyl-[(E,6R)-6-[(2R,5R)-5-[(2R,5R)-5-[(E,1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-enyl]oxolan-2-yl]oxolan-2-yl]-6-(2-trimethylsilylethoxymethoxy)hex-4-enoxy]-dimethylsilane
CID 10533620
tert-butyl-[(E)-11-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-(oxan-2-yloxy)undec-10-enoxy]-dimethylsilane
CID 10552899

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane?
The IUPAC name of [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane (CID 24796348) is [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane.
What is the SMILES notation for [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane?
The canonical SMILES for [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane is C=C/C=C/CC/C=C/C=C/C=C/CC/C=C/[C@H]1OC2(CCCC2)O[C@@H]1[C@@H]1O[C@@H]([C@@H](CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane?
The InChIKey is LLPYYPJKSLPPSB-LPCNCIKBSA-N. The full InChI is InChI=1S/C54H100O7Si4/c1-18-25-26-27-28-29-30-31-32-33-34-35-36-37-40-45-49(58-54(57-45)41-38-39-42-54)51-50(61-63(16,17)53(11,12)13)47(59-62(14,15)52(8,9)10)43-46(56-51)48(60-65(22-5,23-6)24-7)44-55-64(19-2,20-3)21-4/h18,25-26,29-34,37,40,45-51H,1,19-24,27-28,35-36,38-39,41-44H2,2-17H3/b26-25+,30-29+,32-31+,34-33+,40-37+/t45-,46-,47-,48-,49+,50-,51+/m1/s1.
What are the key properties of [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane?
[(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane has a molecular weight of 973.73 g/mol, XLogP of 15.92, 27 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2R,4R,5S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2R,3S)-2-[(1E,5E,7E,9E,13E)-hexadeca-1,5,7,9,13,15-hexaenyl]-1,4-dioxaspiro[4.4]nonan-3-yl]oxan-2-yl]-2-triethylsilyloxyethoxy]-triethylsilane is sourced from PubChem (CID 24796348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).