(2R)-1,4-dioxane-2-carbaldehyde

C5H8O3 — CID 129361258

IUPAC(2R)-1,4-dioxane-2-carbaldehyde
SMILESO=C[C@H]1COCCO1
InChIInChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2/t5-/m0/s1
InChIKeySOYANKPFXHJUCE-YFKPBYRVSA-N
MW116.12 g/mol
LogP-0.40
Rot. Bonds1

About (2R)-1,4-dioxane-2-carbaldehyde

(2R)-1,4-dioxane-2-carbaldehyde (PubChem CID 129361258) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2R)-1,4-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1,4-dioxane-2-carbaldehyde
PubChem CID129361258
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2R)-1,4-dioxane-2-carbaldehyde
SMILESO=C[C@H]1COCCO1
InChIInChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2/t5-/m0/s1
InChIKeySOYANKPFXHJUCE-YFKPBYRVSA-N
XLogP-0.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-dioxane-2-carbaldehyde?
The IUPAC name of (2R)-1,4-dioxane-2-carbaldehyde (CID 129361258) is (2R)-1,4-dioxane-2-carbaldehyde.
What is the SMILES notation for (2R)-1,4-dioxane-2-carbaldehyde?
The canonical SMILES for (2R)-1,4-dioxane-2-carbaldehyde is O=C[C@H]1COCCO1.
What is the InChIKey of (2R)-1,4-dioxane-2-carbaldehyde?
The InChIKey is SOYANKPFXHJUCE-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O3/c6-3-5-4-7-1-2-8-5/h3,5H,1-2,4H2/t5-/m0/s1.
What are the key properties of (2R)-1,4-dioxane-2-carbaldehyde?
(2R)-1,4-dioxane-2-carbaldehyde has a molecular weight of 116.12 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-dioxane-2-carbaldehyde is sourced from PubChem (CID 129361258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).