[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane

C26H54O3Si3 — CID 11271968

IUPAC[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
SMILESC=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si3/c1-15-23-21(19-27-31(11,12)25(2,3)4)22(20-28-32(13,14)26(5,6)7)24(29-23)17-16-18-30(8,9)10/h15-17,21-24H,1,18-20H2,2-14H3/b17-16+/t21-,22+,23+,24-/m0/s1
InChIKeyWMWFPEBDHOFBNB-NTOFMDHMSA-N
MW498.97 g/mol
LogP8.11
Rot. Bonds10

About [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane

[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane (PubChem CID 11271968) has the molecular formula C26H54O3Si3 and a molecular weight of 498.97 g/mol. Its IUPAC name is [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
PubChem CID11271968
Molecular FormulaC26H54O3Si3
Molecular Weight498.97 g/mol
Exact Mass498.34
IUPAC Name[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane
SMILESC=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H54O3Si3/c1-15-23-21(19-27-31(11,12)25(2,3)4)22(20-28-32(13,14)26(5,6)7)24(29-23)17-16-18-30(8,9)10/h15-17,21-24H,1,18-20H2,2-14H3/b17-16+/t21-,22+,23+,24-/m0/s1
InChIKeyWMWFPEBDHOFBNB-NTOFMDHMSA-N
XLogP8.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.97
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?
The IUPAC name of [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane (CID 11271968) is [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?
The canonical SMILES for [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane is C=C[C@H]1O[C@@H](/C=C/C[Si](C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?
The InChIKey is WMWFPEBDHOFBNB-NTOFMDHMSA-N. The full InChI is InChI=1S/C26H54O3Si3/c1-15-23-21(19-27-31(11,12)25(2,3)4)22(20-28-32(13,14)26(5,6)7)24(29-23)17-16-18-30(8,9)10/h15-17,21-24H,1,18-20H2,2-14H3/b17-16+/t21-,22+,23+,24-/m0/s1.
What are the key properties of [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane?
[(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane has a molecular weight of 498.97 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyloxolan-2-yl]prop-2-enyl]-trimethylsilane is sourced from PubChem (CID 11271968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).