3,6-ditert-butyl-1,3-diazinane-2,4-dione

C12H22N2O2 — CID 23591935

IUPAC3,6-ditert-butyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)N1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)8-7-9(15)14(10(16)13-8)12(4,5)6/h8H,7H2,1-6H3,(H,13,16)
InChIKeyOBUYIWGNMKBUFS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.14
Rot. Bonds

About 3,6-ditert-butyl-1,3-diazinane-2,4-dione

3,6-ditert-butyl-1,3-diazinane-2,4-dione (PubChem CID 23591935) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,6-ditert-butyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3,6-ditert-butyl-1,3-diazinane-2,4-dione
PubChem CID23591935
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3,6-ditert-butyl-1,3-diazinane-2,4-dione
SMILESCC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)N1
InChIInChI=1S/C12H22N2O2/c1-11(2,3)8-7-9(15)14(10(16)13-8)12(4,5)6/h8H,7H2,1-6H3,(H,13,16)
InChIKeyOBUYIWGNMKBUFS-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3,6-ditert-butyl-1,3-diazinane-2,4-dione (CID 23591935) is 3,6-ditert-butyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3,6-ditert-butyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3,6-ditert-butyl-1,3-diazinane-2,4-dione is CC(C)(C)C1CC(=O)N(C(C)(C)C)C(=O)N1.
What is the InChIKey of 3,6-ditert-butyl-1,3-diazinane-2,4-dione?
The InChIKey is OBUYIWGNMKBUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)8-7-9(15)14(10(16)13-8)12(4,5)6/h8H,7H2,1-6H3,(H,13,16).
What are the key properties of 3,6-ditert-butyl-1,3-diazinane-2,4-dione?
3,6-ditert-butyl-1,3-diazinane-2,4-dione has a molecular weight of 226.32 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23591935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).