tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C22H43NO4Si — CID 58011479

IUPACtert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H43NO4Si/c1-12-13-17(15-26-28(10,11)21(5,6)7)14-18-16-25-22(8,9)23(18)19(24)27-20(2,3)4/h12,17-18H,1,13-16H2,2-11H3/t17-,18+/m1/s1
InChIKeyRYXIPBVBXAGGLF-MSOLQXFVSA-N
MW413.68 g/mol
LogP5.96
Rot. Bonds7

About tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 58011479) has the molecular formula C22H43NO4Si and a molecular weight of 413.68 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID58011479
Molecular FormulaC22H43NO4Si
Molecular Weight413.68 g/mol
Exact Mass413.30
IUPAC Nametert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C22H43NO4Si/c1-12-13-17(15-26-28(10,11)21(5,6)7)14-18-16-25-22(8,9)23(18)19(24)27-20(2,3)4/h12,17-18H,1,13-16H2,2-11H3/t17-,18+/m1/s1
InChIKeyRYXIPBVBXAGGLF-MSOLQXFVSA-N
XLogP5.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.68
LogP ≤ 55.96
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 58011479) is tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RYXIPBVBXAGGLF-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H43NO4Si/c1-12-13-17(15-26-28(10,11)21(5,6)7)14-18-16-25-22(8,9)23(18)19(24)27-20(2,3)4/h12,17-18H,1,13-16H2,2-11H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 413.68 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 58011479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).