[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate

C20H28O4SSi — CID 140814430

IUPAC[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OS(C)(=O)=O
InChIInChI=1S/C20H28O4SSi/c1-17(24-25(5,21)22)16-23-26(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m1/s1
InChIKeyMXMXSIJCRRVCCX-QGZVFWFLSA-N
MW392.59 g/mol
LogP2.93
Rot. Bonds7

About [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate

[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate (PubChem CID 140814430) has the molecular formula C20H28O4SSi and a molecular weight of 392.59 g/mol. Its IUPAC name is [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
PubChem CID140814430
Molecular FormulaC20H28O4SSi
Molecular Weight392.59 g/mol
Exact Mass392.15
IUPAC Name[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OS(C)(=O)=O
InChIInChI=1S/C20H28O4SSi/c1-17(24-25(5,21)22)16-23-26(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m1/s1
InChIKeyMXMXSIJCRRVCCX-QGZVFWFLSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387
[(2S,5S)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trifluoromethylsulfonyloxy)hexan-2-yl] trifluoromethanesulfonate
CID 23254753
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate
CID 102001891
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(2-methylsulfonyloxyethoxy)butyl] methanesulfonate
CID 10506738
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
trans-tert-butyl (1S,2S)-2-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-methylsulfonyloxyethyl]cyclopropane-1-carboxylate
CID 11763044
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate?
The IUPAC name of [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate (CID 140814430) is [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate.
What is the SMILES notation for [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate?
The canonical SMILES for [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OS(C)(=O)=O.
What is the InChIKey of [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate?
The InChIKey is MXMXSIJCRRVCCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28O4SSi/c1-17(24-25(5,21)22)16-23-26(20(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,16H2,1-5H3/t17-/m1/s1.
What are the key properties of [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate?
[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate has a molecular weight of 392.59 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate is sourced from PubChem (CID 140814430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).