2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite

C11H19IN2O4 — CID 149314596

IUPAC2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite
SMILESCCC(COC(C)COI)N1CCC(=O)NC1=O
InChIInChI=1S/C11H19IN2O4/c1-3-9(7-17-8(2)6-18-12)14-5-4-10(15)13-11(14)16/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyXZGKYMPKQSZFEW-UHFFFAOYSA-N
MW370.19 g/mol
LogP1.48
Rot. Bonds7

About 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite

2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite (PubChem CID 149314596) has the molecular formula C11H19IN2O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite.

Molecular Properties

Compound Name2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite
PubChem CID149314596
Molecular FormulaC11H19IN2O4
Molecular Weight370.19 g/mol
Exact Mass370.04
IUPAC Name2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite
SMILESCCC(COC(C)COI)N1CCC(=O)NC1=O
InChIInChI=1S/C11H19IN2O4/c1-3-9(7-17-8(2)6-18-12)14-5-4-10(15)13-11(14)16/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyXZGKYMPKQSZFEW-UHFFFAOYSA-N
XLogP1.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite?
The IUPAC name of 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite (CID 149314596) is 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite.
What is the SMILES notation for 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite?
The canonical SMILES for 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite is CCC(COC(C)COI)N1CCC(=O)NC1=O.
What is the InChIKey of 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite?
The InChIKey is XZGKYMPKQSZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN2O4/c1-3-9(7-17-8(2)6-18-12)14-5-4-10(15)13-11(14)16/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite?
2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite has a molecular weight of 370.19 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dioxo-1,3-diazinan-1-yl)butoxy]propyl hypoiodite is sourced from PubChem (CID 149314596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).