tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate

C24H47NO4Si — CID 134940881

IUPACtert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H47NO4Si/c1-13-17(5)20(29-30(14-2,15-3)16-4)18(6)21-19(7)25(24(11,12)27-21)22(26)28-23(8,9)10/h13,17-21H,1,14-16H2,2-12H3/t17-,18+,19-,20-,21+/m1/s1
InChIKeySALULDGNDGFNIN-XNTOXWQXSA-N
MW441.73 g/mol
LogP6.60
Rot. Bonds9

About tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134940881) has the molecular formula C24H47NO4Si and a molecular weight of 441.73 g/mol. Its IUPAC name is tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate
PubChem CID134940881
Molecular FormulaC24H47NO4Si
Molecular Weight441.73 g/mol
Exact Mass441.33
IUPAC Nametert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H47NO4Si/c1-13-17(5)20(29-30(14-2,15-3)16-4)18(6)21-19(7)25(24(11,12)27-21)22(26)28-23(8,9)10/h13,17-21H,1,14-16H2,2-12H3/t17-,18+,19-,20-,21+/m1/s1
InChIKeySALULDGNDGFNIN-XNTOXWQXSA-N
XLogP6.60
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.73
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R,5S)-5-[(2S,3R,4R)-3-hydroxy-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11163230
tert-butyl (4R,5S)-5-[(E,2S,3R,4R)-3-hydroxy-6-iodo-4-methylhex-5-en-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 24824419
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 54598004
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835359
tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835360
tert-butyl (4S,5S)-5-but-3-enyl-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
CID 134870516
1-[(4R,5R)-5-[(2S,3S,4S,5E,7E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-8-trimethylsilylocta-5,7-dien-2-yl]-2,2,4-trimethyl-1,3-oxazolidin-3-yl]ethanone
CID 134879478
tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]pyrrolidine-1-carboxylate
CID 14808647
4-[N-Tert-butoxycarbonyl-2,2-dimethyl-4(S)-(2,2-dimethyl-4-triisopropylsilyloxybutyl)-1,3-oxazolidin-5(S)-yl]-but-1-ene
CID 22882487
tert-butyl (4S,5S)-4-[2,2-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2,2-dimethyl-5-[(2R)-2-propan-2-ylbut-3-enyl]-1,3-oxazolidine-3-carboxylate
CID 22882488
1,1-Dimethylethyl 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-[1-(2-hydroxyethyl)-2-propen-1-yl]-1-pyrrolidinecarboxylate
CID 57230444
(S)-tert-Butyl 4-((R)-2-(((tert-butyldimethylsilyl)oxy)methyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 58011479

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate (CID 134940881) is tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate is C=C[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is SALULDGNDGFNIN-XNTOXWQXSA-N. The full InChI is InChI=1S/C24H47NO4Si/c1-13-17(5)20(29-30(14-2,15-3)16-4)18(6)21-19(7)25(24(11,12)27-21)22(26)28-23(8,9)10/h13,17-21H,1,14-16H2,2-12H3/t17-,18+,19-,20-,21+/m1/s1.
What are the key properties of tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 441.73 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-2,2,4-trimethyl-5-[(2R,3R,4R)-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134940881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).