tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate

C12H21NO3 — CID 121000177

IUPACtert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESC=CN1COC(C)(C)C1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-7-13-8-15-12(5,6)9(13)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3
InChIKeyWHEMZRDZRAAVGX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.91
Rot. Bonds2

About tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate

tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 121000177) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID121000177
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESC=CN1COC(C)(C)C1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO3/c1-7-13-8-15-12(5,6)9(13)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3
InChIKeyWHEMZRDZRAAVGX-UHFFFAOYSA-N
XLogP1.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89313667
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl (4S)-2,2-dimethyl-4-prop-2-enoyl-1,3-oxazolidine-3-carboxylate
CID 70678214
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CID 545259
tert-butyl (4R)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 101170002
tert-butyl 2,2-dimethyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 72816401
tert-butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
tert-butyl (4S)-4-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11484227
tert-butyl (4S)-4-but-3-enyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10923119
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate (CID 121000177) is tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate is C=CN1COC(C)(C)C1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is WHEMZRDZRAAVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7-13-8-15-12(5,6)9(13)10(14)16-11(2,3)4/h7,9H,1,8H2,2-6H3.
What are the key properties of tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate?
tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-ethenyl-5,5-dimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 121000177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).