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

C24H47NO3Sn — CID 10697188

IUPACtert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](/C=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H20NO3.3C4H9.Sn/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4;3*1-3-4-2;/h1,7,9H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyQJWGUMTVTUTRNU-RASHCQHBSA-N
MW516.36 g/mol
LogP7.30
Rot. Bonds11

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

tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 10697188) has the molecular formula C24H47NO3Sn and a molecular weight of 516.36 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
PubChem CID10697188
Molecular FormulaC24H47NO3Sn
Molecular Weight516.36 g/mol
Exact Mass517.26
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](/C=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C12H20NO3.3C4H9.Sn/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4;3*1-3-4-2;/h1,7,9H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1
InChIKeyQJWGUMTVTUTRNU-RASHCQHBSA-N
XLogP7.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.36
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
1,1-Dimethylethyl (4R)-4-(2,2-dibromoethenyl)-2,2-dimethyl-3-oxazolidinecarboxylate
CID 11731777
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10807963
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylpropa-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 102278746
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
tert-butyl (4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 90196773
tert-butyl (4R)-4-(2,2-difluoroethenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101577591
tert-Butyl (S)-4-(2,2-difluorovinyl)-2,2-dimethyloxazolidine-3-carboxylate
CID 154682267
Tert-butyl 4-(2,2-difluoroethenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169693258
(S)-4-(2,2-dibromo-vinyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 14756526
1,1-Dimethylethyl (4S)-2,2-dimethyl-4-(1Z)-1-propen-1-yl-3-oxazolidinecarboxylate
CID 11107506

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate (CID 10697188) is tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate is CCCC[Sn](/C=C/[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is QJWGUMTVTUTRNU-RASHCQHBSA-N. The full InChI is InChI=1S/C12H20NO3.3C4H9.Sn/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4;3*1-3-4-2;/h1,7,9H,8H2,2-6H3;3*1,3-4H2,2H3;/t9-;;;;/m1..../s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 516.36 g/mol, XLogP of 7.30, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10697188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).