butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate

C20H39NO5SSi — CID 69236208

IUPACbutyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate
SMILESCCCCOC(=O)CCCSCCN1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO5SSi/c1-7-8-12-24-18(22)10-9-13-27-14-11-21-17(15-25-19(21)23)16-26-28(5,6)20(2,3)4/h17H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyQEAJGNLKQSZXJM-KRWDZBQOSA-N
MW433.69 g/mol
LogP4.69
Rot. Bonds13

About butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate

butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate (PubChem CID 69236208) has the molecular formula C20H39NO5SSi and a molecular weight of 433.69 g/mol. Its IUPAC name is butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate.

Molecular Properties

Compound Namebutyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate
PubChem CID69236208
Molecular FormulaC20H39NO5SSi
Molecular Weight433.69 g/mol
Exact Mass433.23
IUPAC Namebutyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate
SMILESCCCCOC(=O)CCCSCCN1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H39NO5SSi/c1-7-8-12-24-18(22)10-9-13-27-14-11-21-17(15-25-19(21)23)16-26-28(5,6)20(2,3)4/h17H,7-16H2,1-6H3/t17-/m0/s1
InChIKeyQEAJGNLKQSZXJM-KRWDZBQOSA-N
XLogP4.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate?
The IUPAC name of butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate (CID 69236208) is butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate.
What is the SMILES notation for butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate?
The canonical SMILES for butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate is CCCCOC(=O)CCCSCCN1C(=O)OC[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate?
The InChIKey is QEAJGNLKQSZXJM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H39NO5SSi/c1-7-8-12-24-18(22)10-9-13-27-14-11-21-17(15-25-19(21)23)16-26-28(5,6)20(2,3)4/h17H,7-16H2,1-6H3/t17-/m0/s1.
What are the key properties of butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate?
butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate has a molecular weight of 433.69 g/mol, XLogP of 4.69, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-[(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]butanoate is sourced from PubChem (CID 69236208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).