tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane

C42H88O7Si4 — CID 11422971

IUPACtert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane
SMILESCC[Si](CC)(CC)OCCCC[C@H]1O[C@@](OC)([C@@H](O[Si](CC)(CC)CC)[C@@H]2OC=C[C@H](O[Si](CC)(CC)CC)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C42H88O7Si4/c1-18-51(19-2,20-3)45-31-28-27-29-36-34(10)38(47-50(16,17)41(12,13)14)33-42(43-15,46-36)40(49-53(24-7,25-8)26-9)39-35(11)37(30-32-44-39)48-52(21-4,22-5)23-6/h30,32,34-40H,18-29,31,33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40-,42+/m0/s1
InChIKeyATTXCGCPAZLRSM-IRYMCZJZSA-N
MW817.50 g/mol
LogP12.67
Rot. Bonds24

About tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane

tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane (PubChem CID 11422971) has the molecular formula C42H88O7Si4 and a molecular weight of 817.50 g/mol. Its IUPAC name is tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane
PubChem CID11422971
Molecular FormulaC42H88O7Si4
Molecular Weight817.50 g/mol
Exact Mass816.56
IUPAC Nametert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane
SMILESCC[Si](CC)(CC)OCCCC[C@H]1O[C@@](OC)([C@@H](O[Si](CC)(CC)CC)[C@@H]2OC=C[C@H](O[Si](CC)(CC)CC)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C42H88O7Si4/c1-18-51(19-2,20-3)45-31-28-27-29-36-34(10)38(47-50(16,17)41(12,13)14)33-42(43-15,46-36)40(49-53(24-7,25-8)26-9)39-35(11)37(30-32-44-39)48-52(21-4,22-5)23-6/h30,32,34-40H,18-29,31,33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40-,42+/m0/s1
InChIKeyATTXCGCPAZLRSM-IRYMCZJZSA-N
XLogP12.67
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.50
LogP ≤ 512.67
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'}

Analyze tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[2-[(2R,3S,6S)-9-butyl-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-2-yl]ethoxy]-dimethylsilane
CID 10500136
(2R,3S,4R,5R,6S)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 11123792
tert-butyl-[[(3S,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,9-trimethyl-2-methylidene-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11156528
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
triethyl-[[(4R,6R,8R,10S,13R)-4-(iodomethyl)-13-methyl-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134878040
tert-butyl-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
[(2S,3S,4R,5S,6S,8R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 134962518
tert-butyl-[[(4S,6R,8S,10R,13S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-10-prop-2-enyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]-dimethylsilane
CID 135053802
(2R,3S,4R,5R,6R)-2-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentan-2-yl]-4-(methoxymethoxy)-3-methyl-1,7-dioxaspiro[5.5]undec-8-en-5-ol
CID 135054268
[(2S,3S,4R,5S,6R,8S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-ethenyl-1,7-dioxaspiro[5.5]undecan-5-yl]oxy-tert-butyl-dimethylsilane
CID 176426932
tert-butyl-[(1R,2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methoxy-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10940077

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane (CID 11422971) is tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane is CC[Si](CC)(CC)OCCCC[C@H]1O[C@@](OC)([C@@H](O[Si](CC)(CC)CC)[C@@H]2OC=C[C@H](O[Si](CC)(CC)CC)[C@H]2C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane?
The InChIKey is ATTXCGCPAZLRSM-IRYMCZJZSA-N. The full InChI is InChI=1S/C42H88O7Si4/c1-18-51(19-2,20-3)45-31-28-27-29-36-34(10)38(47-50(16,17)41(12,13)14)33-42(43-15,46-36)40(49-53(24-7,25-8)26-9)39-35(11)37(30-32-44-39)48-52(21-4,22-5)23-6/h30,32,34-40H,18-29,31,33H2,1-17H3/t34-,35+,36+,37-,38-,39+,40-,42+/m0/s1.
What are the key properties of tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane has a molecular weight of 817.50 g/mol, XLogP of 12.67, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S,5S,6R)-2-methoxy-5-methyl-2-[(S)-[(2R,3S,4S)-3-methyl-4-triethylsilyloxy-3,4-dihydro-2H-pyran-2-yl]-triethylsilyloxymethyl]-6-(4-triethylsilyloxybutyl)oxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11422971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).