2,5-diethoxyoxolane-3-carbaldehyde

C9H16O4 — CID 13147284

IUPAC2,5-diethoxyoxolane-3-carbaldehyde
SMILESCCOC1CC(C=O)C(OCC)O1
InChIInChI=1S/C9H16O4/c1-3-11-8-5-7(6-10)9(13-8)12-4-2/h6-9H,3-5H2,1-2H3
InChIKeyJLHSNRYOETWTHB-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds5

About 2,5-diethoxyoxolane-3-carbaldehyde

2,5-diethoxyoxolane-3-carbaldehyde (PubChem CID 13147284) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2,5-diethoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name2,5-diethoxyoxolane-3-carbaldehyde
PubChem CID13147284
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2,5-diethoxyoxolane-3-carbaldehyde
SMILESCCOC1CC(C=O)C(OCC)O1
InChIInChI=1S/C9H16O4/c1-3-11-8-5-7(6-10)9(13-8)12-4-2/h6-9H,3-5H2,1-2H3
InChIKeyJLHSNRYOETWTHB-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
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 2,5-diethoxyoxolane-3-carbaldehyde?
The IUPAC name of 2,5-diethoxyoxolane-3-carbaldehyde (CID 13147284) is 2,5-diethoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 2,5-diethoxyoxolane-3-carbaldehyde?
The canonical SMILES for 2,5-diethoxyoxolane-3-carbaldehyde is CCOC1CC(C=O)C(OCC)O1.
What is the InChIKey of 2,5-diethoxyoxolane-3-carbaldehyde?
The InChIKey is JLHSNRYOETWTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-11-8-5-7(6-10)9(13-8)12-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 2,5-diethoxyoxolane-3-carbaldehyde?
2,5-diethoxyoxolane-3-carbaldehyde has a molecular weight of 188.22 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 13147284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).