3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one

C11H21NO2 — CID 122432040

IUPAC3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(CCC(C)(C)C)C(=O)O1
InChIInChI=1S/C11H21NO2/c1-5-9-8-12(10(13)14-9)7-6-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyTURHNSXBABVIHL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds3

About 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one

3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one (PubChem CID 122432040) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
PubChem CID122432040
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one
SMILESCCC1CN(CCC(C)(C)C)C(=O)O1
InChIInChI=1S/C11H21NO2/c1-5-9-8-12(10(13)14-9)7-6-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyTURHNSXBABVIHL-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one (CID 122432040) is 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one is CCC1CN(CCC(C)(C)C)C(=O)O1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one?
The InChIKey is TURHNSXBABVIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-8-12(10(13)14-9)7-6-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one?
3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-5-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 122432040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).