tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C30H61NO10Si — CID 57385688

IUPACtert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOCO[C@H]([C@@H](OCOCC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOCC
InChIInChI=1S/C30H61NO10Si/c1-14-33-20-36-24(17-18-40-42(12,13)29(7,8)9)26(38-22-35-16-3)25(37-21-34-15-2)23-19-39-30(10,11)31(23)27(32)41-28(4,5)6/h23-26H,14-22H2,1-13H3/t23-,24+,25-,26-/m0/s1
InChIKeyRXEMJLANYVQDNF-QYOOZWMWSA-N
MW623.90 g/mol
LogP5.91
Rot. Bonds19

About tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57385688) has the molecular formula C30H61NO10Si and a molecular weight of 623.90 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID57385688
Molecular FormulaC30H61NO10Si
Molecular Weight623.90 g/mol
Exact Mass623.41
IUPAC Nametert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOCO[C@H]([C@@H](OCOCC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOCC
InChIInChI=1S/C30H61NO10Si/c1-14-33-20-36-24(17-18-40-42(12,13)29(7,8)9)26(38-22-35-16-3)25(37-21-34-15-2)23-19-39-30(10,11)31(23)27(32)41-28(4,5)6/h23-26H,14-22H2,1-13H3/t23-,24+,25-,26-/m0/s1
InChIKeyRXEMJLANYVQDNF-QYOOZWMWSA-N
XLogP5.91
TPSA103.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.90
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-trihydroxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57385687
tert-butyl (4S)-2,2-dimethyl-4-[(1S,2S,3R)-1,2,3-tris(methoxymethoxy)pent-4-ynyl]-1,3-oxazolidine-3-carboxylate
CID 135012250
tert-butyl (4S)-2,2-dimethyl-4-[(1S,2S,3S)-1,2,3-tris(methoxymethoxy)pent-4-ynyl]-1,3-oxazolidine-3-carboxylate
CID 135012251
tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
CID 10872778
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
CID 153439551
tert-butyl (2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]pyrrolidine-1-carboxylate
CID 153439571
tert-butyl (4S,5S)-4-[(R)-[(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dihydroxyoxolan-2-yl]-hydroxymethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10624465
tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 11729703
tert-butyl (2R,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
CID 21602005
tert-butyl (4S)-4-[(1S,2S,3R)-3-hydroxy-1,2-bis(methoxymethoxy)-5-trimethylsilylpent-4-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25209604
tert-butyl (4S)-4-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 56963827
tert-butyl (3aS,5S,6R,6aS)-3a,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-formyloxy-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 71819332

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 57385688) is tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOCO[C@H]([C@@H](OCOCC)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)OCOCC.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RXEMJLANYVQDNF-QYOOZWMWSA-N. The full InChI is InChI=1S/C30H61NO10Si/c1-14-33-20-36-24(17-18-40-42(12,13)29(7,8)9)26(38-22-35-16-3)25(37-21-34-15-2)23-19-39-30(10,11)31(23)27(32)41-28(4,5)6/h23-26H,14-22H2,1-13H3/t23-,24+,25-,26-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 623.90 g/mol, XLogP of 5.91, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57385688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).