[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane

C23H40O4SSi2 — CID 102475785

IUPAC[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(S(=O)c2ccccc2)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)25-17-20-19(27-30(9,10)23(4,5)6)16-21(26-20)28(24)18-14-12-11-13-15-18/h11-16,19-20H,17H2,1-10H3/t19-,20+,28?/m0/s1
InChIKeyLMHZIJFSBRRWNW-VWGXNCFZSA-N
MW468.81 g/mol
LogP6.45
Rot. Bonds7

About [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 102475785) has the molecular formula C23H40O4SSi2 and a molecular weight of 468.81 g/mol. Its IUPAC name is [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID102475785
Molecular FormulaC23H40O4SSi2
Molecular Weight468.81 g/mol
Exact Mass468.22
IUPAC Name[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(S(=O)c2ccccc2)=C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)25-17-20-19(27-30(9,10)23(4,5)6)16-21(26-20)28(24)18-14-12-11-13-15-18/h11-16,19-20H,17H2,1-10H3/t19-,20+,28?/m0/s1
InChIKeyLMHZIJFSBRRWNW-VWGXNCFZSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.81
LogP ≤ 56.45
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

[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(3R,4R)-6-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-4-yl]oxy-tert-butyl-dimethylsilane
CID 21607909
[(4aR,8R,8aR)-2,2-ditert-butyl-6-phenylsulfanyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl]oxy-tri(propan-2-yl)silane
CID 102212916
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305
[(2S,3R,4S,5S,6S)-2-(benzenesulfinyl)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 132575049
lithium tert-butyl-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-(tert-butyl-oxido-phenyl-lambda4-sulfanyl)-3,4-dihydro-2H-pyran-4-yl]oxy]-dimethylsilane
CID 134856101
3-[(E)-2-(benzenesulfonyl)ethenoxy]butoxy-tert-butyl-dimethylsilane
CID 134935125
1-[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]ethoxy-tri(propan-2-yl)silane
CID 134937813
[(Z)-1-(benzenesulfonyl)-2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxy-3,6-dihydro-2H-pyran-2-yl]ethenyl]-triethylsilane
CID 138980717
[(2S,4Z,6E,8S)-10-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxydeca-4,6-dien-2-yl]oxy-tert-butyl-dimethylsilane
CID 155931673
[(2R,3R)-3-(benzenesulfonyl)-3-prop-2-enyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10406752

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane (CID 102475785) is [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1OC(S(=O)c2ccccc2)=C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is LMHZIJFSBRRWNW-VWGXNCFZSA-N. The full InChI is InChI=1S/C23H40O4SSi2/c1-22(2,3)29(7,8)25-17-20-19(27-30(9,10)23(4,5)6)16-21(26-20)28(24)18-14-12-11-13-15-18/h11-16,19-20H,17H2,1-10H3/t19-,20+,28?/m0/s1.
What are the key properties of [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 468.81 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102475785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).