tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane

C27H32O2SSi — CID 139640160

IUPACtert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-18,22,26H,19-21H2,1-3H3/t22-,26?/m0/s1
InChIKeyZRQKLYLXUOVMSV-CHQVSRGASA-N
MW448.70 g/mol
LogP5.86
Rot. Bonds7

About tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane

tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane (PubChem CID 139640160) has the molecular formula C27H32O2SSi and a molecular weight of 448.70 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
PubChem CID139640160
Molecular FormulaC27H32O2SSi
Molecular Weight448.70 g/mol
Exact Mass448.19
IUPAC Nametert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-18,22,26H,19-21H2,1-3H3/t22-,26?/m0/s1
InChIKeyZRQKLYLXUOVMSV-CHQVSRGASA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.70
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

PhS(-2d)[TBDMS(-3)][TBDPS(-6)]Glc1F4Me
CID 134936699
phenyl 6-O-(tert-butyldiphenylsilyl)-1-thio-beta-D-glucopyranoside
CID 14991429
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-(4-fluorophenyl)sulfanylthiolan-2-yl]methyl acetate
CID 153333214
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylsulfanyloxolan-2-one
CID 15928054
tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
CID 101860154
[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane
CID 134878359
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]D-Ara(a)-SPh
CID 134974887
TBDMS(-3)[TBDMS(-4)]2,6-deoxy-Hex-SPh
CID 135022444
tert-butyl-dimethyl-[(3S,6S)-2-methyl-6-phenylsulfanyloxan-3-yl]oxysilane
CID 135022716
[(3aR,6R,7aR)-2,2-dimethyl-6-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 135041956

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane (CID 139640160) is tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane is CC(C)(C)[Si](OC[C@@H]1CCC(Sc2ccccc2)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane?
The InChIKey is ZRQKLYLXUOVMSV-CHQVSRGASA-N. The full InChI is InChI=1S/C27H32O2SSi/c1-27(2,3)31(24-15-9-5-10-16-24,25-17-11-6-12-18-25)28-21-22-19-20-26(29-22)30-23-13-7-4-8-14-23/h4-18,22,26H,19-21H2,1-3H3/t22-,26?/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane?
tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane has a molecular weight of 448.70 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyloxolan-2-yl]methoxy]silane is sourced from PubChem (CID 139640160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).