5,6-ditert-butyl-1,3-oxazinane-2,4-dione

C12H21NO3 — CID 167328506

IUPAC5,6-ditert-butyl-1,3-oxazinane-2,4-dione
SMILESCC(C)(C)C1OC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)7-8(12(4,5)6)16-10(15)13-9(7)14/h7-8H,1-6H3,(H,13,14,15)
InChIKeyKTOZSCJBDPEZAD-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.33
Rot. Bonds

About 5,6-ditert-butyl-1,3-oxazinane-2,4-dione

5,6-ditert-butyl-1,3-oxazinane-2,4-dione (PubChem CID 167328506) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-1,3-oxazinane-2,4-dione
PubChem CID167328506
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5,6-ditert-butyl-1,3-oxazinane-2,4-dione
SMILESCC(C)(C)C1OC(=O)NC(=O)C1C(C)(C)C
InChIInChI=1S/C12H21NO3/c1-11(2,3)7-8(12(4,5)6)16-10(15)13-9(7)14/h7-8H,1-6H3,(H,13,14,15)
InChIKeyKTOZSCJBDPEZAD-UHFFFAOYSA-N
XLogP2.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-sulfanylpropan-2-yl)-1,3-oxazolidine-2,4-dione
CID 167083528
(4S,5R)-4,5-ditert-butyl-1,3-dioxolan-2-one
CID 58446547
CID 70546334
CID 70546334
5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14310920
2,3-ditert-butyl-4,5-dimethyl-2,3-dihydrofuran
CID 59908870
ethane;5-methyl-1,3-oxazolidine-2,4-dione;molecular hydrogen
CID 144512967
5-(4-amino-2,4-dimethylpentan-2-yl)-1,3-oxazolidine-2,4-dione;ethane
CID 171621159
(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 22214859
(3R,4S)-4-tert-butyl-3-methyloxetan-2-one
CID 13024582
4-tert-butyl-3-methyloxetan-2-one
CID 13024580
2,3-ditert-butyloxan-4-one
CID 164734446
5-(2-cyclopropylpropan-2-yl)-1,3-oxazolidin-2-one
CID 56992918

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,3-oxazinane-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-1,3-oxazinane-2,4-dione (CID 167328506) is 5,6-ditert-butyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-1,3-oxazinane-2,4-dione is CC(C)(C)C1OC(=O)NC(=O)C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-1,3-oxazinane-2,4-dione?
The InChIKey is KTOZSCJBDPEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,3)7-8(12(4,5)6)16-10(15)13-9(7)14/h7-8H,1-6H3,(H,13,14,15).
What are the key properties of 5,6-ditert-butyl-1,3-oxazinane-2,4-dione?
5,6-ditert-butyl-1,3-oxazinane-2,4-dione has a molecular weight of 227.30 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 167328506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).