triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane

C42H88O6Si4 — CID 10533367

IUPACtriethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](CC)(CC)CC)CO[C@H](/C=C(/C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C42H88O6Si4/c1-19-49(20-2,21-3)46-36(18)35(17)40-39(44-40)29-37-30-43-38(28-34(16)45-52(31(10)11,32(12)13)33(14)15)42(48-51(25-7,26-8)27-9)41(37)47-50(22-4,23-5)24-6/h28,31-33,35-42H,19-27,29-30H2,1-18H3/b34-28-/t35-,36-,37-,38+,39-,40-,41+,42-/m0/s1
InChIKeyFMOHWWYHKNVUFU-GTSIQTKXSA-N
MW801.50 g/mol
LogP13.08
Rot. Bonds25

About triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane

triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane (PubChem CID 10533367) has the molecular formula C42H88O6Si4 and a molecular weight of 801.50 g/mol. Its IUPAC name is triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane
PubChem CID10533367
Molecular FormulaC42H88O6Si4
Molecular Weight801.50 g/mol
Exact Mass800.57
IUPAC Nametriethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](CC)(CC)CC)CO[C@H](/C=C(/C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C42H88O6Si4/c1-19-49(20-2,21-3)46-36(18)35(17)40-39(44-40)29-37-30-43-38(28-34(16)45-52(31(10)11,32(12)13)33(14)15)42(48-51(25-7,26-8)27-9)41(37)47-50(22-4,23-5)24-6/h28,31-33,35-42H,19-27,29-30H2,1-18H3/b34-28-/t35-,36-,37-,38+,39-,40-,41+,42-/m0/s1
InChIKeyFMOHWWYHKNVUFU-GTSIQTKXSA-N
XLogP13.08
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.50
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane with MolForge

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Related Compounds

(2R,3R,4R,5RS)-3,4-Epoxy-5-trimethylsilyloxy-1,2-O-bis(triiospropylsilyloxy)-4,6-dim-ethyl-6(E)-nonene
CID 11180956
tert-butyl-[(1R)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 11430609
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-[(1S,2E,4E,7R,8Z,10E)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6S)-6-methyl-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane
CID 60088511
tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 60088512
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 60088517
hydroxy-dimethyl-[2-methyl-1-[(1R,4R,5R,6S)-4,5,6-tributoxy-3-(butoxymethyl)cyclohex-2-en-1-yl]propan-2-yl]silane
CID 71079950
[(2R,3S,4S,6R)-6-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-prop-1-enyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 90771901
tert-butyl-[(1S)-1-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 91078694
tert-butyl-[[(3R,4S,5S)-5-methoxy-4-[(3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]oxy]-dimethylsilane
CID 123343518
tert-butyl-[(1S)-1-[(2R,4R,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 145782106

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane?
The IUPAC name of triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane (CID 10533367) is triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane is CC[Si](CC)(CC)O[C@@H]1[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O[Si](CC)(CC)CC)CO[C@H](/C=C(/C)O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane?
The InChIKey is FMOHWWYHKNVUFU-GTSIQTKXSA-N. The full InChI is InChI=1S/C42H88O6Si4/c1-19-49(20-2,21-3)46-36(18)35(17)40-39(44-40)29-37-30-43-38(28-34(16)45-52(31(10)11,32(12)13)33(14)15)42(48-51(25-7,26-8)27-9)41(37)47-50(22-4,23-5)24-6/h28,31-33,35-42H,19-27,29-30H2,1-18H3/b34-28-/t35-,36-,37-,38+,39-,40-,41+,42-/m0/s1.
What are the key properties of triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane?
triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane has a molecular weight of 801.50 g/mol, XLogP of 13.08, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2R,3S,4R,5S)-3-triethylsilyloxy-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]-2-[(Z)-2-tri(propan-2-yl)silyloxyprop-1-enyl]oxan-4-yl]oxysilane is sourced from PubChem (CID 10533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).