ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate

C19H30O6SSi — CID 134953576

IUPACethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate
SMILESCCOC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H30O6SSi/c1-7-23-17(20)19(26(21,22)16-11-9-8-10-12-16)13-15(25-19)14-24-27(5,6)18(2,3)4/h8-12,15H,7,13-14H2,1-6H3/t15-,19-/m1/s1
InChIKeyFYPSASWHMYGJTR-DNVCBOLYSA-N
MW414.60 g/mol
LogP3.53
Rot. Bonds7

About ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate

ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate (PubChem CID 134953576) has the molecular formula C19H30O6SSi and a molecular weight of 414.60 g/mol. Its IUPAC name is ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate
PubChem CID134953576
Molecular FormulaC19H30O6SSi
Molecular Weight414.60 g/mol
Exact Mass414.15
IUPAC Nameethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate
SMILESCCOC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H30O6SSi/c1-7-23-17(20)19(26(21,22)16-11-9-8-10-12-16)13-15(25-19)14-24-27(5,6)18(2,3)4/h8-12,15H,7,13-14H2,1-6H3/t15-,19-/m1/s1
InChIKeyFYPSASWHMYGJTR-DNVCBOLYSA-N
XLogP3.53
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.60
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate with MolForge

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Related Compounds

methyl (4S)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11058149
Ethyl 2-(benzenesulfonyl)oxetane-2-carboxylate
CID 134967329
ethyl (2R)-2-(benzenesulfonyl)oxetane-2-carboxylate
CID 138974352
1-[(2S,3R)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone
CID 10248611
2-Trimethylsilylethyl 5-oxo-2-phenylsulfanyloxolane-2-carboxylate
CID 14798617
Tert-butyl 3-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11761987
ethyl 3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo(313C)pentanoate
CID 101209160
1-[(2R,3S)-2-(benzenesulfonyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]ethanone
CID 101635171

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate?
The IUPAC name of ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate (CID 134953576) is ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate?
The canonical SMILES for ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate is CCOC(=O)[C@]1(S(=O)(=O)c2ccccc2)C[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate?
The InChIKey is FYPSASWHMYGJTR-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H30O6SSi/c1-7-23-17(20)19(26(21,22)16-11-9-8-10-12-16)13-15(25-19)14-24-27(5,6)18(2,3)4/h8-12,15H,7,13-14H2,1-6H3/t15-,19-/m1/s1.
What are the key properties of ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate?
ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate has a molecular weight of 414.60 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-2-(benzenesulfonyl)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetane-2-carboxylate is sourced from PubChem (CID 134953576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).