tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

C21H41NO4Si — CID 88980900

IUPACtert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO4Si/c1-10-14-15-18(26-27(11-2,12-3)13-4)17-16-24-21(8,9)22(17)19(23)25-20(5,6)7/h10,17-18H,1,11-16H2,2-9H3/t17?,18-/m1/s1
InChIKeyYROKJYUCJDQGSK-QRWMCTBCSA-N
MW399.65 g/mol
LogP5.72
Rot. Bonds9

About tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 88980900) has the molecular formula C21H41NO4Si and a molecular weight of 399.65 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
PubChem CID88980900
Molecular FormulaC21H41NO4Si
Molecular Weight399.65 g/mol
Exact Mass399.28
IUPAC Nametert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate
SMILESC=CCC[C@@H](O[Si](CC)(CC)CC)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C21H41NO4Si/c1-10-14-15-18(26-27(11-2,12-3)13-4)17-16-24-21(8,9)22(17)19(23)25-20(5,6)7/h10,17-18H,1,11-16H2,2-9H3/t17?,18-/m1/s1
InChIKeyYROKJYUCJDQGSK-QRWMCTBCSA-N
XLogP5.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.65
LogP ≤ 55.72
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'}

Analyze tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-2,2-dimethyl-4-[(1S)-2-oxo-1-triethylsilyloxyethyl]-1,3-oxazolidine-3-carboxylate
CID 88980904
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 (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
tert-butyl 4-[(3S)-1-hydroxyhex-4-en-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175210367
tert-butyl (4R)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 101170002
tert-butyl (4S)-4-(ethylsulfanylmethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23650636
tert-butyl 4-[(E,2R)-3-(hydroxymethyl)pent-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102308156
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
tert-butyl (4S)-4-[(1R,2R)-1,2-dihydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11004992
tert-butyl (4S)-4-(2-hydroxypent-4-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59344945

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate (CID 88980900) is tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is C=CCC[C@@H](O[Si](CC)(CC)CC)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is YROKJYUCJDQGSK-QRWMCTBCSA-N. The full InChI is InChI=1S/C21H41NO4Si/c1-10-14-15-18(26-27(11-2,12-3)13-4)17-16-24-21(8,9)22(17)19(23)25-20(5,6)7/h10,17-18H,1,11-16H2,2-9H3/t17?,18-/m1/s1.
What are the key properties of tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 399.65 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-[(1R)-1-triethylsilyloxypent-4-enyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 88980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).