(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde

C5H6O4 — CID 57347389

IUPAC(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde
SMILESO=C[C@@H]1OC[C@H](C=O)O1
InChIInChI=1S/C5H6O4/c6-1-4-3-8-5(2-7)9-4/h1-2,4-5H,3H2/t4-,5+/m0/s1
InChIKeyOOFSKMVJEZTDGS-CRCLSJGQSA-N
MW130.10 g/mol
LogP-0.87
Rot. Bonds2

About (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde

(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde (PubChem CID 57347389) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde.

Molecular Properties

Compound Name(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde
PubChem CID57347389
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde
SMILESO=C[C@@H]1OC[C@H](C=O)O1
InChIInChI=1S/C5H6O4/c6-1-4-3-8-5(2-7)9-4/h1-2,4-5H,3H2/t4-,5+/m0/s1
InChIKeyOOFSKMVJEZTDGS-CRCLSJGQSA-N
XLogP-0.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,4R)-1,3-dioxolane-2,4-dicarbaldehyde?
The IUPAC name of (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde (CID 57347389) is (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde.
What is the SMILES notation for (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde?
The canonical SMILES for (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde is O=C[C@@H]1OC[C@H](C=O)O1.
What is the InChIKey of (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde?
The InChIKey is OOFSKMVJEZTDGS-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H6O4/c6-1-4-3-8-5(2-7)9-4/h1-2,4-5H,3H2/t4-,5+/m0/s1.
What are the key properties of (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde?
(2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde has a molecular weight of 130.10 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1,3-dioxolane-2,4-dicarbaldehyde is sourced from PubChem (CID 57347389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).