2,2-dideuterio-1,4-dioxane

C4H8O2 — CID 54292187

IUPAC2,2-dideuterio-1,4-dioxane
SMILES[2H]C1([2H])COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2
InChIKeyRYHBNJHYFVUHQT-DICFDUPASA-N
MW90.12 g/mol
LogP0.03
Rot. Bonds

About 2,2-dideuterio-1,4-dioxane

2,2-dideuterio-1,4-dioxane (PubChem CID 54292187) has the molecular formula C4H8O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 2,2-dideuterio-1,4-dioxane.

Molecular Properties

Compound Name2,2-dideuterio-1,4-dioxane
PubChem CID54292187
Molecular FormulaC4H8O2
Molecular Weight90.12 g/mol
Exact Mass90.06
IUPAC Name2,2-dideuterio-1,4-dioxane
SMILES[2H]C1([2H])COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2
InChIKeyRYHBNJHYFVUHQT-DICFDUPASA-N
XLogP0.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-1,4-dioxane?
The IUPAC name of 2,2-dideuterio-1,4-dioxane (CID 54292187) is 2,2-dideuterio-1,4-dioxane.
What is the SMILES notation for 2,2-dideuterio-1,4-dioxane?
The canonical SMILES for 2,2-dideuterio-1,4-dioxane is [2H]C1([2H])COCCO1.
What is the InChIKey of 2,2-dideuterio-1,4-dioxane?
The InChIKey is RYHBNJHYFVUHQT-DICFDUPASA-N. The full InChI is InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2.
What are the key properties of 2,2-dideuterio-1,4-dioxane?
2,2-dideuterio-1,4-dioxane has a molecular weight of 90.12 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-1,4-dioxane is sourced from PubChem (CID 54292187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).