propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C11H21NO3 — CID 177436139

IUPACpropyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-14-9(13)12-10(2,3)8-15-11(12,4)5/h6-8H2,1-5H3
InChIKeyIOOSGVDPJGSUSJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.38
Rot. Bonds2

About propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 177436139) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namepropyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID177436139
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namepropyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C11H21NO3/c1-6-7-14-9(13)12-10(2,3)8-15-11(12,4)5/h6-8H2,1-5H3
InChIKeyIOOSGVDPJGSUSJ-UHFFFAOYSA-N
XLogP2.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 177436139) is propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CCCOC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IOOSGVDPJGSUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-7-14-9(13)12-10(2,3)8-15-11(12,4)5/h6-8H2,1-5H3.
What are the key properties of propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 177436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).