6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid

C12H20O5 — CID 13220195

IUPAC6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid
SMILESO=C(O)CCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C12H20O5/c13-11(14)5-3-1-2-4-9-6-7-10(17-9)8-12(15)16/h9-10H,1-8H2,(H,13,14)(H,15,16)
InChIKeyAKFOSCSWLWBTOZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds8

About 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid

6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid (PubChem CID 13220195) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid.

Molecular Properties

Compound Name6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid
PubChem CID13220195
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid
SMILESO=C(O)CCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C12H20O5/c13-11(14)5-3-1-2-4-9-6-7-10(17-9)8-12(15)16/h9-10H,1-8H2,(H,13,14)(H,15,16)
InChIKeyAKFOSCSWLWBTOZ-UHFFFAOYSA-N
XLogP2.04
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic 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 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid?
The IUPAC name of 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid (CID 13220195) is 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid.
What is the SMILES notation for 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid?
The canonical SMILES for 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid is O=C(O)CCCCCC1CCC(CC(=O)O)O1.
What is the InChIKey of 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid?
The InChIKey is AKFOSCSWLWBTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c13-11(14)5-3-1-2-4-9-6-7-10(17-9)8-12(15)16/h9-10H,1-8H2,(H,13,14)(H,15,16).
What are the key properties of 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid?
6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(carboxymethyl)oxolan-2-yl]hexanoic acid is sourced from PubChem (CID 13220195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).