[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C26H56O4Si3 — CID 11027689

IUPAC[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-17-18-26(20-28-31(11,12)23(2,3)4)22(30-33(15,16)25(8,9)10)21(19-27-26)29-32(13,14)24(5,6)7/h17,21-22H,1,18-20H2,2-16H3/t21-,22+,26+/m1/s1
InChIKeyXQBGIHJCRUAWJE-UFPGJGBJSA-N
MW516.99 g/mol
LogP8.13
Rot. Bonds9

About [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11027689) has the molecular formula C26H56O4Si3 and a molecular weight of 516.99 g/mol. Its IUPAC name is [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11027689
Molecular FormulaC26H56O4Si3
Molecular Weight516.99 g/mol
Exact Mass516.35
IUPAC Name[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=CC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H56O4Si3/c1-17-18-26(20-28-31(11,12)23(2,3)4)22(30-33(15,16)25(8,9)10)21(19-27-26)29-32(13,14)24(5,6)7/h17,21-22H,1,18-20H2,2-16H3/t21-,22+,26+/m1/s1
InChIKeyXQBGIHJCRUAWJE-UFPGJGBJSA-N
XLogP8.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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

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CID 88579846
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CID 89222911
tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
CID 89329092
[(2R,3R)-1-butoxy-3-methoxy-3-methylhept-6-en-2-yl]oxy-tert-butyl-dimethylsilane
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tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
CID 175638923
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-yl]oxy-dimethylsilane
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(2S,3S,4R)-2-prop-2-enyl-2-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
CID 10782685
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
[(1R)-1-[(2S,3S,4S,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-ethenyloxolan-2-yl]ethoxy]-tert-butyl-dimethylsilane
CID 11677974
(2R,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxolan-3-ol
CID 25267460

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 11027689) is [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is C=CC[C@@]1(CO[Si](C)(C)C(C)(C)C)OC[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,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is XQBGIHJCRUAWJE-UFPGJGBJSA-N. The full InChI is InChI=1S/C26H56O4Si3/c1-17-18-26(20-28-31(11,12)23(2,3)4)22(30-33(15,16)25(8,9)10)21(19-27-26)29-32(13,14)24(5,6)7/h17,21-22H,1,18-20H2,2-16H3/t21-,22+,26+/m1/s1.
What are the key properties of [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 516.99 g/mol, XLogP of 8.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-prop-2-enyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11027689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).