5-methoxyoxolane-3-carbaldehyde

C6H10O3 — CID 14437432

IUPAC5-methoxyoxolane-3-carbaldehyde
SMILESCOC1CC(C=O)CO1
InChIInChI=1S/C6H10O3/c1-8-6-2-5(3-7)4-9-6/h3,5-6H,2,4H2,1H3
InChIKeyGPBISXNOOOPDIB-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.19
Rot. Bonds2

About 5-methoxyoxolane-3-carbaldehyde

5-methoxyoxolane-3-carbaldehyde (PubChem CID 14437432) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-methoxyoxolane-3-carbaldehyde.

Molecular Properties

Compound Name5-methoxyoxolane-3-carbaldehyde
PubChem CID14437432
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-methoxyoxolane-3-carbaldehyde
SMILESCOC1CC(C=O)CO1
InChIInChI=1S/C6H10O3/c1-8-6-2-5(3-7)4-9-6/h3,5-6H,2,4H2,1H3
InChIKeyGPBISXNOOOPDIB-UHFFFAOYSA-N
XLogP0.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methoxyoxolane-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxyoxolane-3-carbaldehyde?
The IUPAC name of 5-methoxyoxolane-3-carbaldehyde (CID 14437432) is 5-methoxyoxolane-3-carbaldehyde.
What is the SMILES notation for 5-methoxyoxolane-3-carbaldehyde?
The canonical SMILES for 5-methoxyoxolane-3-carbaldehyde is COC1CC(C=O)CO1.
What is the InChIKey of 5-methoxyoxolane-3-carbaldehyde?
The InChIKey is GPBISXNOOOPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-8-6-2-5(3-7)4-9-6/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-methoxyoxolane-3-carbaldehyde?
5-methoxyoxolane-3-carbaldehyde has a molecular weight of 130.14 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyoxolane-3-carbaldehyde is sourced from PubChem (CID 14437432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).