tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate

C15H31NO6SSi — CID 170585072

IUPACtert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO6SSi/c1-11(22-24(8,9)15(5,6)7)12-10-20-23(18,19)16(12)13(17)21-14(2,3)4/h11-12H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyMIEMRNLASKPORG-NWDGAFQWSA-N
MW381.57 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate

tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate (PubChem CID 170585072) has the molecular formula C15H31NO6SSi and a molecular weight of 381.57 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
PubChem CID170585072
Molecular FormulaC15H31NO6SSi
Molecular Weight381.57 g/mol
Exact Mass381.16
IUPAC Nametert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO6SSi/c1-11(22-24(8,9)15(5,6)7)12-10-20-23(18,19)16(12)13(17)21-14(2,3)4/h11-12H,10H2,1-9H3/t11-,12+/m0/s1
InChIKeyMIEMRNLASKPORG-NWDGAFQWSA-N
XLogP3.28
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 135074460
tert-butyl (2R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 134842895
tert-butyl (4S)-2,2-dioxo-4-[2-(trideuteriomethoxy)ethyl]oxathiazolidine-3-carboxylate
CID 170585062
tert-butyl 2,2-dioxo-4-[1-[4-(trifluoromethyl)phenyl]propyl]oxathiazolidine-3-carboxylate
CID 91407034
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 11372630
tert-butyl 3-[1-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-1,4-oxazepane-4-carboxylate
CID 171613504
tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10862073
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
tert-butyl (4S)-4-(3,4-difluorophenyl)-2,2-dioxooxathiazolidine-3-carboxylate
CID 125498249
tert-butyl 1,1-dioxo-3a,4,6,7-tetrahydro-3H-oxathiazolo[3,4-a]pyrazine-5-carboxylate
CID 123418147
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate (CID 170585072) is tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate is C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COS(=O)(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
The InChIKey is MIEMRNLASKPORG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H31NO6SSi/c1-11(22-24(8,9)15(5,6)7)12-10-20-23(18,19)16(12)13(17)21-14(2,3)4/h11-12H,10H2,1-9H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate has a molecular weight of 381.57 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxooxathiazolidine-3-carboxylate is sourced from PubChem (CID 170585072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).