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

C26H56O4Si3 — CID 11677974

IUPAC[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H]1O[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/C26H56O4Si3/c1-18-20-22(29-32(14,15)25(6,7)8)23(30-33(16,17)26(9,10)11)21(27-20)19(2)28-31(12,13)24(3,4)5/h18-23H,1H2,2-17H3/t19-,20-,21+,22+,23+/m1/s1
InChIKeyIXHZJWBBOWCTIM-VROINQGHSA-N
MW516.99 g/mol
LogP8.13
Rot. Bonds8

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

[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane (PubChem CID 11677974) has the molecular formula C26H56O4Si3 and a molecular weight of 516.99 g/mol. Its IUPAC name is [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
PubChem CID11677974
Molecular FormulaC26H56O4Si3
Molecular Weight516.99 g/mol
Exact Mass516.35
IUPAC Name[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@H]1O[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/C26H56O4Si3/c1-18-20-22(29-32(14,15)25(6,7)8)23(30-33(16,17)26(9,10)11)21(27-20)19(2)28-31(12,13)24(3,4)5/h18-23H,1H2,2-17H3/t19-,20-,21+,22+,23+/m1/s1
InChIKeyIXHZJWBBOWCTIM-VROINQGHSA-N
XLogP8.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 14483578
tert-butyl-[[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methoxy]-dimethylsilane
CID 56593729
(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 134838049
tert-butyl-[[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethylideneoxolan-2-yl]methoxy]-dimethylsilane
CID 11783958
3-[(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oct-1-en-4-yl]oxypropoxy-tert-butyl-dimethylsilane
CID 142657998
(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 167457352
[(2R,3S,4S,5S)-2-but-3-enyl-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10949975
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11027689
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-5-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
CID 11048463
tert-butyl-[(2S,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-bis(prop-2-enyl)oxolan-3-yl]oxy-dimethylsilane
CID 11080147
[(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
3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propan-1-ol
CID 11729683

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane (CID 11677974) is [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane is C=C[C@H]1O[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 [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?
The InChIKey is IXHZJWBBOWCTIM-VROINQGHSA-N. The full InChI is InChI=1S/C26H56O4Si3/c1-18-20-22(29-32(14,15)25(6,7)8)23(30-33(16,17)26(9,10)11)21(27-20)19(2)28-31(12,13)24(3,4)5/h18-23H,1H2,2-17H3/t19-,20-,21+,22+,23+/m1/s1.
What are the key properties of [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane?
[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane has a molecular weight of 516.99 g/mol, XLogP of 8.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11677974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).