3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one

C11H21NO2 — CID 89161085

IUPAC3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(C(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C11H21NO2/c1-8-6-7-12(10(13)14-8)9(2)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyWTHZQKOGBCGTHD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.65
Rot. Bonds1

About 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one

3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one (PubChem CID 89161085) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one
PubChem CID89161085
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one
SMILESCC1CCN(C(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C11H21NO2/c1-8-6-7-12(10(13)14-8)9(2)11(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyWTHZQKOGBCGTHD-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one (CID 89161085) is 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one is CC1CCN(C(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one?
The InChIKey is WTHZQKOGBCGTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-7-12(10(13)14-8)9(2)11(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one?
3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one has a molecular weight of 199.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-6-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 89161085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).