tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane

C23H42O3SSi2 — CID 11408425

IUPACtert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3SSi2/c1-22(2,3)28(7,8)24-17-20-19(26-29(9,10)23(4,5)6)16-21(25-20)27-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1
InChIKeyKRZICROKDFBTFV-MCOCGALXSA-N
MW454.83 g/mol
LogP7.31
Rot. Bonds7

About tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane (PubChem CID 11408425) has the molecular formula C23H42O3SSi2 and a molecular weight of 454.83 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
PubChem CID11408425
Molecular FormulaC23H42O3SSi2
Molecular Weight454.83 g/mol
Exact Mass454.24
IUPAC Nametert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3SSi2/c1-22(2,3)28(7,8)24-17-20-19(26-29(9,10)23(4,5)6)16-21(25-20)27-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1
InChIKeyKRZICROKDFBTFV-MCOCGALXSA-N
XLogP7.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 57.31
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 tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane (CID 11408425) is tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane?
The InChIKey is KRZICROKDFBTFV-MCOCGALXSA-N. The full InChI is InChI=1S/C23H42O3SSi2/c1-22(2,3)28(7,8)24-17-20-19(26-29(9,10)23(4,5)6)16-21(25-20)27-18-14-12-11-13-15-18/h11-15,19-21H,16-17H2,1-10H3/t19-,20+,21?/m0/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane has a molecular weight of 454.83 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11408425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).