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

C8H15NO2 — CID 105430655

IUPAC6-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1CCNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-4-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyUQYIERZPWGOTJT-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds

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

6-tert-butyl-1,3-oxazinan-2-one (PubChem CID 105430655) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-tert-butyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-tert-butyl-1,3-oxazinan-2-one
PubChem CID105430655
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-tert-butyl-1,3-oxazinan-2-one
SMILESCC(C)(C)C1CCNC(=O)O1
InChIInChI=1S/C8H15NO2/c1-8(2,3)6-4-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyUQYIERZPWGOTJT-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidin-4-yl ethylcarbamate
CID 20569908
propan-2-yl N-(3,3,4,4-tetramethylpentyl)carbamate
CID 20706642
propan-2-yl N-(4,4,5,5-tetramethylhexyl)carbamate
CID 20706643
ethyl N-(4,4-dimethylpentyl)carbamate
CID 57945132
ethyl N-(5,5-dimethylhexyl)carbamate
CID 57945145
6-Tert-butyl-3-methyl-1,3-oxazinan-2-one
CID 58562668
2,2-dimethylpropyl N-(4,4-dimethylpentyl)carbamate
CID 59350872
Piperidin-4-yl butylcarbamate
CID 69060894
piperidin-4-yl N-propylcarbamate
CID 79338098
5-Tert-butyl-1,3-oxazinan-2-one
CID 84716640
piperidin-1-ium-4-yl N-ethylcarbamate
CID 86328799
propyl N-(4,4-dimethylpentyl)carbamate
CID 88894752

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-oxazinan-2-one?
The IUPAC name of 6-tert-butyl-1,3-oxazinan-2-one (CID 105430655) is 6-tert-butyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-tert-butyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-tert-butyl-1,3-oxazinan-2-one is CC(C)(C)C1CCNC(=O)O1.
What is the InChIKey of 6-tert-butyl-1,3-oxazinan-2-one?
The InChIKey is UQYIERZPWGOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)6-4-5-9-7(10)11-6/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 6-tert-butyl-1,3-oxazinan-2-one?
6-tert-butyl-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105430655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).