tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate

C12H23NO3 — CID 594027

IUPACtert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C12H23NO3/c1-8-9(2)15-12(6,7)13(8)10(14)16-11(3,4)5/h8-9H,1-7H3
InChIKeyFTMMYSCVMDCUEE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.77
Rot. Bonds

About tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 594027) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID594027
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C12H23NO3/c1-8-9(2)15-12(6,7)13(8)10(14)16-11(3,4)5/h8-9H,1-7H3
InChIKeyFTMMYSCVMDCUEE-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053464
Tert-butyl 4-ethynyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 18366143
tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10944693
(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
CID 11053463
US10214537, Example 158
CID 57765494
US10214537, Example 162
CID 58799596
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(1-methylpropyl)-, monohydrobromide
CID 3040567
tert-butyl (4R,5R)-4-ethynyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 12970128
Tert-butyl 3-acetoxypyrrolidine-1-carboxylate
CID 13466616
Tert-butyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14409442
2-Oxazolidinone, 3-(1-ethoxyethyl)-5-methyl-
CID 14474965
rac-tert-butyl (4R,5R)-4-(hydroxymethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 39871810

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 594027) is tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1OC(C)(C)N(C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FTMMYSCVMDCUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-9(2)15-12(6,7)13(8)10(14)16-11(3,4)5/h8-9H,1-7H3.
What are the key properties of tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2,4,5-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 594027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).