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

C12H20INO3 — CID 10807963

IUPACtert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/I)COC1(C)C
InChIInChI=1S/C12H20INO3/c1-11(2,3)17-10(15)14-9(6-7-13)8-16-12(14,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m1/s1
InChIKeyQVNCTWCURZHEDS-XCODYQFDSA-N
MW353.20 g/mol
LogP3.31
Rot. Bonds1

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

tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10807963) has the molecular formula C12H20INO3 and a molecular weight of 353.20 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10807963
Molecular FormulaC12H20INO3
Molecular Weight353.20 g/mol
Exact Mass353.05
IUPAC Nametert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C/I)COC1(C)C
InChIInChI=1S/C12H20INO3/c1-11(2,3)17-10(15)14-9(6-7-13)8-16-12(14,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m1/s1
InChIKeyQVNCTWCURZHEDS-XCODYQFDSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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)-2,2-dimethyl-4-[(E)-2-tributylstannylethenyl]-1,3-oxazolidine-3-carboxylate
CID 10697188
tert-butyl (4R)-2,2-dimethyl-4-[(E)-2-trimethylsilylethenyl]-1,3-oxazolidine-3-carboxylate
CID 11141095
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
tert-butyl (4S)-4-(3-bromopropa-1,2-dienyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11141669

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10807963) is tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](/C=C/I)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is QVNCTWCURZHEDS-XCODYQFDSA-N. The full InChI is InChI=1S/C12H20INO3/c1-11(2,3)17-10(15)14-9(6-7-13)8-16-12(14,4)5/h6-7,9H,8H2,1-5H3/b7-6+/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 353.20 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(E)-2-iodoethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10807963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).