3-(methoxymethyl)oxetane-3-carbaldehyde

C6H10O3 — CID 167724786

IUPAC3-(methoxymethyl)oxetane-3-carbaldehyde
SMILESCOCC1(C=O)COC1
InChIInChI=1S/C6H10O3/c1-8-3-6(2-7)4-9-5-6/h2H,3-5H2,1H3
InChIKeyLQUNWTBJDFIJBH-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.15
Rot. Bonds3

About 3-(methoxymethyl)oxetane-3-carbaldehyde

3-(methoxymethyl)oxetane-3-carbaldehyde (PubChem CID 167724786) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3-(methoxymethyl)oxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-(methoxymethyl)oxetane-3-carbaldehyde
PubChem CID167724786
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3-(methoxymethyl)oxetane-3-carbaldehyde
SMILESCOCC1(C=O)COC1
InChIInChI=1S/C6H10O3/c1-8-3-6(2-7)4-9-5-6/h2H,3-5H2,1H3
InChIKeyLQUNWTBJDFIJBH-UHFFFAOYSA-N
XLogP-0.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)oxetane-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 3-(methoxymethyl)oxetane-3-carbaldehyde?
The IUPAC name of 3-(methoxymethyl)oxetane-3-carbaldehyde (CID 167724786) is 3-(methoxymethyl)oxetane-3-carbaldehyde.
What is the SMILES notation for 3-(methoxymethyl)oxetane-3-carbaldehyde?
The canonical SMILES for 3-(methoxymethyl)oxetane-3-carbaldehyde is COCC1(C=O)COC1.
What is the InChIKey of 3-(methoxymethyl)oxetane-3-carbaldehyde?
The InChIKey is LQUNWTBJDFIJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-8-3-6(2-7)4-9-5-6/h2H,3-5H2,1H3.
What are the key properties of 3-(methoxymethyl)oxetane-3-carbaldehyde?
3-(methoxymethyl)oxetane-3-carbaldehyde has a molecular weight of 130.14 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)oxetane-3-carbaldehyde is sourced from PubChem (CID 167724786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).