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

C20H39NO4Si — CID 54598004

IUPACtert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-12-13-16(25-26(10,11)19(5,6)7)15-14-23-20(8,9)21(15)17(22)24-18(2,3)4/h12,15-16H,1,13-14H2,2-11H3/t15-,16+/m0/s1
InChIKeyBNZDLLAUPSQDIQ-JKSUJKDBSA-N
MW385.62 g/mol
LogP5.32
Rot. Bonds5

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

tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 54598004) has the molecular formula C20H39NO4Si and a molecular weight of 385.62 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID54598004
Molecular FormulaC20H39NO4Si
Molecular Weight385.62 g/mol
Exact Mass385.26
IUPAC Nametert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO4Si/c1-12-13-16(25-26(10,11)19(5,6)7)15-14-23-20(8,9)21(15)17(22)24-18(2,3)4/h12,15-16H,1,13-14H2,2-11H3/t15-,16+/m0/s1
InChIKeyBNZDLLAUPSQDIQ-JKSUJKDBSA-N
XLogP5.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 55.32
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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 54598004) is tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H](O[Si](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-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BNZDLLAUPSQDIQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H39NO4Si/c1-12-13-16(25-26(10,11)19(5,6)7)15-14-23-20(8,9)21(15)17(22)24-18(2,3)4/h12,15-16H,1,13-14H2,2-11H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 385.62 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 54598004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).