2-deuterio-1,4-dioxane

C4H8O2 — CID 22799405

IUPAC2-deuterio-1,4-dioxane
SMILES[2H]C1COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D
InChIKeyRYHBNJHYFVUHQT-MICDWDOJSA-N
MW89.11 g/mol
LogP0.03
Rot. Bonds

About 2-deuterio-1,4-dioxane

2-deuterio-1,4-dioxane (PubChem CID 22799405) has the molecular formula C4H8O2 and a molecular weight of 89.11 g/mol. Its IUPAC name is 2-deuterio-1,4-dioxane.

Molecular Properties

Compound Name2-deuterio-1,4-dioxane
PubChem CID22799405
Molecular FormulaC4H8O2
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name2-deuterio-1,4-dioxane
SMILES[2H]C1COCCO1
InChIInChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D
InChIKeyRYHBNJHYFVUHQT-MICDWDOJSA-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 ≤ 50089.11
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-deuterio-1,4-dioxane?
The IUPAC name of 2-deuterio-1,4-dioxane (CID 22799405) is 2-deuterio-1,4-dioxane.
What is the SMILES notation for 2-deuterio-1,4-dioxane?
The canonical SMILES for 2-deuterio-1,4-dioxane is [2H]C1COCCO1.
What is the InChIKey of 2-deuterio-1,4-dioxane?
The InChIKey is RYHBNJHYFVUHQT-MICDWDOJSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D.
What are the key properties of 2-deuterio-1,4-dioxane?
2-deuterio-1,4-dioxane has a molecular weight of 89.11 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-deuterio-1,4-dioxane is sourced from PubChem (CID 22799405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).