5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione

C15H25NO3 — CID 23552395

IUPAC5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione
SMILESCCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H25NO3/c1-8-9-16-12(17)10(14(2,3)4)11(15(5,6)7)19-13(16)18/h8-9H2,1-7H3
InChIKeyHBFYOLFDWHOVEH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds2

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

5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione (PubChem CID 23552395) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione
PubChem CID23552395
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione
SMILESCCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O
InChIInChI=1S/C15H25NO3/c1-8-9-16-12(17)10(14(2,3)4)11(15(5,6)7)19-13(16)18/h8-9H2,1-7H3
InChIKeyHBFYOLFDWHOVEH-UHFFFAOYSA-N
XLogP2.81
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione (CID 23552395) is 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione is CCCn1c(=O)oc(C(C)(C)C)c(C(C)(C)C)c1=O.
What is the InChIKey of 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione?
The InChIKey is HBFYOLFDWHOVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-8-9-16-12(17)10(14(2,3)4)11(15(5,6)7)19-13(16)18/h8-9H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione?
5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione has a molecular weight of 267.37 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-propyl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 23552395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).