(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one

C21H33NO5SSi — CID 10670738

IUPAC(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NO5SSi/c1-10-18-17(13-26-29(8,9)21(5,6)7)22(20(23)27-18)28(24,25)19-15(3)11-14(2)12-16(19)4/h10-12,17-18H,1,13H2,2-9H3/t17-,18-/m0/s1
InChIKeyKOLJXDZEHQPZCD-ROUUACIJSA-N
MW439.65 g/mol
LogP4.70
Rot. Bonds6

About (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one

(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one (PubChem CID 10670738) has the molecular formula C21H33NO5SSi and a molecular weight of 439.65 g/mol. Its IUPAC name is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one
PubChem CID10670738
Molecular FormulaC21H33NO5SSi
Molecular Weight439.65 g/mol
Exact Mass439.18
IUPAC Name(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NO5SSi/c1-10-18-17(13-26-29(8,9)21(5,6)7)22(20(23)27-18)28(24,25)19-15(3)11-14(2)12-16(19)4/h10-12,17-18H,1,13H2,2-9H3/t17-,18-/m0/s1
InChIKeyKOLJXDZEHQPZCD-ROUUACIJSA-N
XLogP4.70
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one (CID 10670738) is (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one?
The InChIKey is KOLJXDZEHQPZCD-ROUUACIJSA-N. The full InChI is InChI=1S/C21H33NO5SSi/c1-10-18-17(13-26-29(8,9)21(5,6)7)22(20(23)27-18)28(24,25)19-15(3)11-14(2)12-16(19)4/h10-12,17-18H,1,13H2,2-9H3/t17-,18-/m0/s1.
What are the key properties of (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one?
(4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one has a molecular weight of 439.65 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10670738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).