tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane

C27H56O7Si2 — CID 11763344

IUPACtert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O7Si2/c1-16-17-20(33-25-24(30-11)23(29-10)22(28-9)19(2)32-25)21(34-36(14,15)27(6,7)8)18-31-35(12,13)26(3,4)5/h16,19-25H,1,17-18H2,2-15H3/t19-,20-,21+,22-,23+,24+,25-/m0/s1
InChIKeyGTIWGWKZJPQKCY-XGFSKUIVSA-N
MW548.91 g/mol
LogP6.15
Rot. Bonds13

About tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane

tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane (PubChem CID 11763344) has the molecular formula C27H56O7Si2 and a molecular weight of 548.91 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane
PubChem CID11763344
Molecular FormulaC27H56O7Si2
Molecular Weight548.91 g/mol
Exact Mass548.36
IUPAC Nametert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane
SMILESC=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O7Si2/c1-16-17-20(33-25-24(30-11)23(29-10)22(28-9)19(2)32-25)21(34-36(14,15)27(6,7)8)18-31-35(12,13)26(3,4)5/h16,19-25H,1,17-18H2,2-15H3/t19-,20-,21+,22-,23+,24+,25-/m0/s1
InChIKeyGTIWGWKZJPQKCY-XGFSKUIVSA-N
XLogP6.15
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.91
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]Glc4F(a)-O-allyl
CID 140966535
[(2R,3S,4R,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-propa-1,2-dienoxyoxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 25136403
2-[6-Allyl-3-(2-methoxyethoxymethoxy)tetrahydropyran-2-yl]ethoxy]-tert-butyldimethylsilane
CID 46894694
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841870
tert-butyl-[(2S)-5-[(4S,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841871
tert-butyl-[(2S)-5-[(5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134841955
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-methyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842068
tert-butyl-[(2S)-5-[(4R,5S)-5-[(1S)-1-(methoxymethoxy)but-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-yl]oxy-dimethylsilane
CID 134842437
tert-butyl-[(4S,5S)-4-(methoxymethoxy)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]-dimethylsilane
CID 139252210
(((2S,4R,6S)-2-Allyl-6-((2S,4S)-2,4-bis(methoxymethoxy)pentyl)tetrahydro-2H-pyran-4-yl)oxy)(tert-butyl)dimethylsilane
CID 145864777
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
triethyl-[[(3R,4R)-2-(triethylsilyloxymethyl)-3-[(2S,5S)-3,4,5-tris(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 162404219

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane (CID 11763344) is tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane is C=CC[C@H](O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane?
The InChIKey is GTIWGWKZJPQKCY-XGFSKUIVSA-N. The full InChI is InChI=1S/C27H56O7Si2/c1-16-17-20(33-25-24(30-11)23(29-10)22(28-9)19(2)32-25)21(34-36(14,15)27(6,7)8)18-31-35(12,13)26(3,4)5/h16,19-25H,1,17-18H2,2-15H3/t19-,20-,21+,22-,23+,24+,25-/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane?
tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane has a molecular weight of 548.91 g/mol, XLogP of 6.15, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11763344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).