[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane

C29H64O5Si4 — CID 11505359

IUPAC[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)O[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H64O5Si4/c1-21-29(34-35(12,13)14)25(33-38(19,20)28(9,10)11)24(32-37(17,18)27(6,7)8)23(30-29)22(2)31-36(15,16)26(3,4)5/h21-25H,1H2,2-20H3/t22-,23+,24+,25-,29+/m1/s1
InChIKeyQMTOURZEVIAOIM-HGQALCJKSA-N
MW605.17 g/mol
LogP9.31
Rot. Bonds10

About [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane

[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane (PubChem CID 11505359) has the molecular formula C29H64O5Si4 and a molecular weight of 605.17 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane
PubChem CID11505359
Molecular FormulaC29H64O5Si4
Molecular Weight605.17 g/mol
Exact Mass604.38
IUPAC Name[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane
SMILESC=C[C@@]1(O[Si](C)(C)C)O[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H64O5Si4/c1-21-29(34-35(12,13)14)25(33-38(19,20)28(9,10)11)24(32-37(17,18)27(6,7)8)23(30-29)22(2)31-36(15,16)26(3,4)5/h21-25H,1H2,2-20H3/t22-,23+,24+,25-,29+/m1/s1
InChIKeyQMTOURZEVIAOIM-HGQALCJKSA-N
XLogP9.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.17
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(1R)-1-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 135014567
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
[(4S)-4-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
CID 89372030
[(4S)-4-[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxan-5-yl]oxy-triethylsilane
CID 140518053
1-[(4R,5R)-5-but-1-en-2-yl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 161509453
tert-butyl-[(E,1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]non-2-enoxy]-dimethylsilane
CID 10673340
tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10918474
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methoxypropan-1-ol
CID 11674629
[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 11677974
2-[[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]methoxy]ethyl-trimethylsilane
CID 15663104
[(4R,5R)-2,2-dimethyl-5-[(1R)-2-methylidene-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]methoxy-triethylsilane
CID 15948201

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane (CID 11505359) is [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane is C=C[C@@]1(O[Si](C)(C)C)O[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)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 [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane?
The InChIKey is QMTOURZEVIAOIM-HGQALCJKSA-N. The full InChI is InChI=1S/C29H64O5Si4/c1-21-29(34-35(12,13)14)25(33-38(19,20)28(9,10)11)24(32-37(17,18)27(6,7)8)23(30-29)22(2)31-36(15,16)26(3,4)5/h21-25H,1H2,2-20H3/t22-,23+,24+,25-,29+/m1/s1.
What are the key properties of [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane?
[(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane has a molecular weight of 605.17 g/mol, XLogP of 9.31, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-ethenyloxolan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 11505359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).