[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate

C24H34O4SSi — CID 145359387

IUPAC[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)COS(C)(=O)=O
InChIInChI=1S/C24H34O4SSi/c1-7-21(20(2)18-27-29(6,25)26)19-28-30(24(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21H,1,18-19H2,2-6H3/t20-,21-/m0/s1
InChIKeyGVMGEVSOTXHKQX-SFTDATJTSA-N
MW446.69 g/mol
LogP3.98
Rot. Bonds10

About [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate

[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate (PubChem CID 145359387) has the molecular formula C24H34O4SSi and a molecular weight of 446.69 g/mol. Its IUPAC name is [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate.

Molecular Properties

Compound Name[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
PubChem CID145359387
Molecular FormulaC24H34O4SSi
Molecular Weight446.69 g/mol
Exact Mass446.19
IUPAC Name[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
SMILESC=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)COS(C)(=O)=O
InChIInChI=1S/C24H34O4SSi/c1-7-21(20(2)18-27-29(6,25)26)19-28-30(24(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21H,1,18-19H2,2-6H3/t20-,21-/m0/s1
InChIKeyGVMGEVSOTXHKQX-SFTDATJTSA-N
XLogP3.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.69
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
CID 11574459
[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(2-methylsulfonyloxyethoxy)butyl] methanesulfonate
CID 10506738
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
octasodium;bis((2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate)
CID 159440773
(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinic acid
CID 145359346

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate?
The IUPAC name of [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate (CID 145359387) is [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate.
What is the SMILES notation for [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate?
The canonical SMILES for [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate is C=C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)COS(C)(=O)=O.
What is the InChIKey of [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate?
The InChIKey is GVMGEVSOTXHKQX-SFTDATJTSA-N. The full InChI is InChI=1S/C24H34O4SSi/c1-7-21(20(2)18-27-29(6,25)26)19-28-30(24(3,4)5,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h7-17,20-21H,1,18-19H2,2-6H3/t20-,21-/m0/s1.
What are the key properties of [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate?
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate has a molecular weight of 446.69 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate is sourced from PubChem (CID 145359387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).