[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C24H51FO4Si3 — CID 71614257

IUPAC[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C/F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51FO4Si3/c1-22(2,3)30(10,11)26-17-19-21(29-32(14,15)24(7,8)9)20(18(16-25)27-19)28-31(12,13)23(4,5)6/h16,19-21H,17H2,1-15H3/b18-16+/t19-,20+,21-/m1/s1
InChIKeyYETSRQJOZYAKAO-DCLBTJKXSA-N
MW506.92 g/mol
LogP8.00
Rot. Bonds7

About [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 71614257) has the molecular formula C24H51FO4Si3 and a molecular weight of 506.92 g/mol. Its IUPAC name is [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID71614257
Molecular FormulaC24H51FO4Si3
Molecular Weight506.92 g/mol
Exact Mass506.31
IUPAC Name[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C/F)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H51FO4Si3/c1-22(2,3)30(10,11)26-17-19-21(29-32(14,15)24(7,8)9)20(18(16-25)27-19)28-31(12,13)23(4,5)6/h16,19-21H,17H2,1-15H3/b18-16+/t19-,20+,21-/m1/s1
InChIKeyYETSRQJOZYAKAO-DCLBTJKXSA-N
XLogP8.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.92
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 71614257) is [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1O/C(=C/F)[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 [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is YETSRQJOZYAKAO-DCLBTJKXSA-N. The full InChI is InChI=1S/C24H51FO4Si3/c1-22(2,3)30(10,11)26-17-19-21(29-32(14,15)24(7,8)9)20(18(16-25)27-19)28-31(12,13)23(4,5)6/h16,19-21H,17H2,1-15H3/b18-16+/t19-,20+,21-/m1/s1.
What are the key properties of [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 506.92 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71614257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).