tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C12H21NO3 — CID 11020618

IUPACtert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m0/s1
InChIKeySEDZCRLQHSPEFD-VIFPVBQESA-N
MW227.30 g/mol
LogP2.54
Rot. Bonds1

About tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11020618) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11020618
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m0/s1
InChIKeySEDZCRLQHSPEFD-VIFPVBQESA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11020618) is tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SEDZCRLQHSPEFD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21NO3/c1-7-9-8-15-12(5,6)13(9)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m0/s1.
What are the key properties of tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11020618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).