2-(methoxymethyl)pent-4-enoic acid

C7H12O3 — CID 13128173

IUPAC2-(methoxymethyl)pent-4-enoic acid
SMILESC=CCC(COC)C(=O)O
InChIInChI=1S/C7H12O3/c1-3-4-6(5-10-2)7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyHFPVEEDLBHYIFX-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds5

About 2-(methoxymethyl)pent-4-enoic acid

2-(methoxymethyl)pent-4-enoic acid (PubChem CID 13128173) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(methoxymethyl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)pent-4-enoic acid
PubChem CID13128173
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(methoxymethyl)pent-4-enoic acid
SMILESC=CCC(COC)C(=O)O
InChIInChI=1S/C7H12O3/c1-3-4-6(5-10-2)7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKeyHFPVEEDLBHYIFX-UHFFFAOYSA-N
XLogP0.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)pent-4-enoic acid 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 2-(methoxymethyl)pent-4-enoic acid?
The IUPAC name of 2-(methoxymethyl)pent-4-enoic acid (CID 13128173) is 2-(methoxymethyl)pent-4-enoic acid.
What is the SMILES notation for 2-(methoxymethyl)pent-4-enoic acid?
The canonical SMILES for 2-(methoxymethyl)pent-4-enoic acid is C=CCC(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)pent-4-enoic acid?
The InChIKey is HFPVEEDLBHYIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-6(5-10-2)7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9).
What are the key properties of 2-(methoxymethyl)pent-4-enoic acid?
2-(methoxymethyl)pent-4-enoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)pent-4-enoic acid is sourced from PubChem (CID 13128173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).