triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane

C35H72O3Si2 — CID 11707014

IUPACtriethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane
SMILESCCC/C=C(\CC)C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@]1(C)C[C@H](C)[C@@H]([C@@H](CC)[C@@H](CC)O[Si](CC)(CC)CC)O1
InChIInChI=1S/C35H72O3Si2/c1-14-24-25-30(15-2)26-28(11)34(38-40(21-8,22-9)23-10)35(13)27-29(12)33(36-35)31(16-3)32(17-4)37-39(18-5,19-6)20-7/h25,28-29,31-34H,14-24,26-27H2,1-13H3/b30-25+/t28-,29+,31+,32-,33+,34-,35+/m1/s1
InChIKeyLVKBYJFMCDMNBU-LSZJKXFJSA-N
MW597.13 g/mol
LogP11.55
Rot. Bonds21

About triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane

triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane (PubChem CID 11707014) has the molecular formula C35H72O3Si2 and a molecular weight of 597.13 g/mol. Its IUPAC name is triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane.

Molecular Properties

Compound Nametriethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane
PubChem CID11707014
Molecular FormulaC35H72O3Si2
Molecular Weight597.13 g/mol
Exact Mass596.50
IUPAC Nametriethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane
SMILESCCC/C=C(\CC)C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@]1(C)C[C@H](C)[C@@H]([C@@H](CC)[C@@H](CC)O[Si](CC)(CC)CC)O1
InChIInChI=1S/C35H72O3Si2/c1-14-24-25-30(15-2)26-28(11)34(38-40(21-8,22-9)23-10)35(13)27-29(12)33(36-35)31(16-3)32(17-4)37-39(18-5,19-6)20-7/h25,28-29,31-34H,14-24,26-27H2,1-13H3/b30-25+/t28-,29+,31+,32-,33+,34-,35+/m1/s1
InChIKeyLVKBYJFMCDMNBU-LSZJKXFJSA-N
XLogP11.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.13
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(2R)-2-[(2S)-5,5-dimethyloxolan-2-yl]-6-methylhept-5-en-2-yl]oxy-tri(propan-2-yl)silane
CID 101396453
triethyl(((R,E)-4-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)hex-2-en-3-yl)oxy)silane
CID 154731527
triethyl(((R,Z)-4-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)hex-2-en-3-yl)oxy)silane
CID 154731542
tert-butyl-[1-[(5R)-5-hepta-3,4-dienyl-4-triethylsilyloxycyclopenten-1-yl]octan-3-yloxy]-dimethylsilane
CID 145807109
[(1R,2R,5E,8R,9R,13R,14R,15R,16R,19E,22R,23R,27R,28R)-2,6,10,16,20,24-hexamethyl-13,27-di(propan-2-yl)-16-trimethylsilyloxy-29,30-dioxapentacyclo[20.6.1.18,15.09,14.023,28]triaconta-5,10,19,24-tetraen-2-yl]oxy-trimethylsilane
CID 5471921
[(2R)-2-[(1R,3R,3aR,7R,7aR)-4-methyl-3-(2-methylprop-2-enyl)-7-propan-2-yl-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-yl]hex-5-en-2-yl]oxy-trimethylsilane
CID 10938341
[(E,1R)-4-ethyl-1-[(2S)-2-methyloxolan-2-yl]hex-4-enoxy]-trimethylsilane
CID 11087337
tert-butyl-[[(4R,5R)-5-[(E,2S,4R)-4,6-dimethyloct-6-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11269140
trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane
CID 11728178
trimethyl-[(2R)-2-[(2R,5S)-5-(2-methylprop-2-enyl)oxolan-2-yl]hex-5-en-2-yl]oxysilane
CID 12112891
[(1R,2R,5E,8R,9R,13R,14R,15R,16R,22R,23R,27R,28R)-2,6,10,16,20,24-hexamethyl-13,27-di(propan-2-yl)-16-trimethylsilyloxy-29,30-dioxapentacyclo[20.6.1.18,15.09,14.023,28]triaconta-5,10,19,24-tetraen-2-yl]oxy-trimethylsilane
CID 22525141
triethyl-[(1R)-1-[(2S,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)oxolan-2-yl]prop-2-enoxy]silane
CID 44248471

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane?
The IUPAC name of triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane (CID 11707014) is triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane.
What is the SMILES notation for triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane?
The canonical SMILES for triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane is CCC/C=C(\CC)C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@]1(C)C[C@H](C)[C@@H]([C@@H](CC)[C@@H](CC)O[Si](CC)(CC)CC)O1.
What is the InChIKey of triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane?
The InChIKey is LVKBYJFMCDMNBU-LSZJKXFJSA-N. The full InChI is InChI=1S/C35H72O3Si2/c1-14-24-25-30(15-2)26-28(11)34(38-40(21-8,22-9)23-10)35(13)27-29(12)33(36-35)31(16-3)32(17-4)37-39(18-5,19-6)20-7/h25,28-29,31-34H,14-24,26-27H2,1-13H3/b30-25+/t28-,29+,31+,32-,33+,34-,35+/m1/s1.
What are the key properties of triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane?
triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane has a molecular weight of 597.13 g/mol, XLogP of 11.55, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,1R,2R)-4-ethyl-1-[(2S,4S,5S)-5-[(1R,2R)-1-ethyl-2-triethylsilyloxybutyl]-2,4-dimethyloxolan-2-yl]-2-methyloct-4-enoxy]silane is sourced from PubChem (CID 11707014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).