[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

C25H53FO4Si3 — CID 134854435

IUPAC[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(F)=C1O[C@H](CO[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/C25H53FO4Si3/c1-18(26)20-22(30-33(15,16)25(8,9)10)21(29-32(13,14)24(5,6)7)19(28-20)17-27-31(11,12)23(2,3)4/h19,21-22H,17H2,1-16H3/t19-,21-,22+/m1/s1
InChIKeyOGRZGJGOUPSREM-FCEUIQTBSA-N
MW520.95 g/mol
LogP8.39
Rot. Bonds7

About [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134854435) has the molecular formula C25H53FO4Si3 and a molecular weight of 520.95 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134854435
Molecular FormulaC25H53FO4Si3
Molecular Weight520.95 g/mol
Exact Mass520.32
IUPAC Name[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(F)=C1O[C@H](CO[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/C25H53FO4Si3/c1-18(26)20-22(30-33(15,16)25(8,9)10)21(29-32(13,14)24(5,6)7)19(28-20)17-27-31(11,12)23(2,3)4/h19,21-22H,17H2,1-16H3/t19-,21-,22+/m1/s1
InChIKeyOGRZGJGOUPSREM-FCEUIQTBSA-N
XLogP8.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.95
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
triethyl-[(2E,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 71614256
[(2R,3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(fluoromethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 71614257
triethyl-[(2Z,3R,4S,5R,6R)-2-(1-fluoroethylidene)-3,5-bis(triethylsilyloxy)-6-(triethylsilyloxymethyl)oxan-4-yl]oxysilane
CID 71614260
[(2R,3R,4R,5Z)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 71614459

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 134854435) is [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is CC(F)=C1O[C@H](CO[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 [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is OGRZGJGOUPSREM-FCEUIQTBSA-N. The full InChI is InChI=1S/C25H53FO4Si3/c1-18(26)20-22(30-33(15,16)25(8,9)10)21(29-32(13,14)24(5,6)7)19(28-20)17-27-31(11,12)23(2,3)4/h19,21-22H,17H2,1-16H3/t19-,21-,22+/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 520.95 g/mol, XLogP of 8.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(1-fluoroethylidene)oxolan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134854435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).