6-tert-butyl-3-methyl-1,3-oxazinan-2-one

C9H17NO2 — CID 58562668

IUPAC6-tert-butyl-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(C(C)(C)C)OC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)7-5-6-10(4)8(11)12-7/h7H,5-6H2,1-4H3
InChIKeyIHDAWUSVECIWAK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds

About 6-tert-butyl-3-methyl-1,3-oxazinan-2-one

6-tert-butyl-3-methyl-1,3-oxazinan-2-one (PubChem CID 58562668) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-tert-butyl-3-methyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-methyl-1,3-oxazinan-2-one
PubChem CID58562668
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-tert-butyl-3-methyl-1,3-oxazinan-2-one
SMILESCN1CCC(C(C)(C)C)OC1=O
InChIInChI=1S/C9H17NO2/c1-9(2,3)7-5-6-10(4)8(11)12-7/h7H,5-6H2,1-4H3
InChIKeyIHDAWUSVECIWAK-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methyl-1,3-oxazinan-2-one?
The IUPAC name of 6-tert-butyl-3-methyl-1,3-oxazinan-2-one (CID 58562668) is 6-tert-butyl-3-methyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-tert-butyl-3-methyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-tert-butyl-3-methyl-1,3-oxazinan-2-one is CN1CCC(C(C)(C)C)OC1=O.
What is the InChIKey of 6-tert-butyl-3-methyl-1,3-oxazinan-2-one?
The InChIKey is IHDAWUSVECIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)7-5-6-10(4)8(11)12-7/h7H,5-6H2,1-4H3.
What are the key properties of 6-tert-butyl-3-methyl-1,3-oxazinan-2-one?
6-tert-butyl-3-methyl-1,3-oxazinan-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-methyl-1,3-oxazinan-2-one is sourced from PubChem (CID 58562668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).