tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

C21H44O4Si2 — CID 22849312

IUPACtert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O4Si2/c1-15-14-23-18(16(2)24-26(10,11)20(3,4)5)19(17(15)22-9)25-27(12,13)21(6,7)8/h15,17-19H,2,14H2,1,3-13H3/t15-,17-,18-,19+/m0/s1
InChIKeyDUHFELIVIYZNDV-DSLXNQLJSA-N
MW416.75 g/mol
LogP5.96
Rot. Bonds6

About tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 22849312) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID22849312
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Nametert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESC=C(O[Si](C)(C)C(C)(C)C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O4Si2/c1-15-14-23-18(16(2)24-26(10,11)20(3,4)5)19(17(15)22-9)25-27(12,13)21(6,7)8/h15,17-19H,2,14H2,1,3-13H3/t15-,17-,18-,19+/m0/s1
InChIKeyDUHFELIVIYZNDV-DSLXNQLJSA-N
XLogP5.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (CID 22849312) is tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is C=C(O[Si](C)(C)C(C)(C)C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is DUHFELIVIYZNDV-DSLXNQLJSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-15-14-23-18(16(2)24-26(10,11)20(3,4)5)19(17(15)22-9)25-27(12,13)21(6,7)8/h15,17-19H,2,14H2,1,3-13H3/t15-,17-,18-,19+/m0/s1.
What are the key properties of tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 416.75 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4S,5S)-2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 22849312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).