5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid

C11H20O5 — CID 63687060

IUPAC5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
SMILESCCCOCCOCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H20O5/c1-2-5-14-6-7-15-8-9-3-4-10(16-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyVZDBTFMBCUSIIU-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.06
Rot. Bonds8

About 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid

5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid (PubChem CID 63687060) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
PubChem CID63687060
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
SMILESCCCOCCOCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H20O5/c1-2-5-14-6-7-15-8-9-3-4-10(16-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyVZDBTFMBCUSIIU-UHFFFAOYSA-N
XLogP1.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic 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 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid (CID 63687060) is 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid is CCCOCCOCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid?
The InChIKey is VZDBTFMBCUSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-2-5-14-6-7-15-8-9-3-4-10(16-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid?
5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 63687060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).