3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one

C8H15NO2 — CID 123690235

IUPAC3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one
SMILESCCN1COC(C)(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-4-9-6-11-8(2,3)5-7(9)10/h4-6H2,1-3H3
InChIKeyNWIBNAFINHINLY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds1

About 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one

3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one (PubChem CID 123690235) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one
PubChem CID123690235
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one
SMILESCCN1COC(C)(C)CC1=O
InChIInChI=1S/C8H15NO2/c1-4-9-6-11-8(2,3)5-7(9)10/h4-6H2,1-3H3
InChIKeyNWIBNAFINHINLY-UHFFFAOYSA-N
XLogP0.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one?
The IUPAC name of 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one (CID 123690235) is 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one is CCN1COC(C)(C)CC1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one?
The InChIKey is NWIBNAFINHINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-9-6-11-8(2,3)5-7(9)10/h4-6H2,1-3H3.
What are the key properties of 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one?
3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one has a molecular weight of 157.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1,3-oxazinan-4-one is sourced from PubChem (CID 123690235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).