undecanedioic acid

C11H20O4 — CID 15816

IUPACundecanedioic acid
SMILESO=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKeyLWBHHRRTOZQPDM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.67
Rot. Bonds10

About undecanedioic acid

undecanedioic acid (PubChem CID 15816) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is undecanedioic acid.

Molecular Properties

Compound Nameundecanedioic acid
PubChem CID15816
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameundecanedioic acid
SMILESO=C(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
InChIKeyLWBHHRRTOZQPDM-UHFFFAOYSA-N
XLogP2.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze undecanedioic 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 undecanedioic acid?
The IUPAC name of undecanedioic acid (CID 15816) is undecanedioic acid.
What is the SMILES notation for undecanedioic acid?
The canonical SMILES for undecanedioic acid is O=C(O)CCCCCCCCCC(=O)O.
What is the InChIKey of undecanedioic acid?
The InChIKey is LWBHHRRTOZQPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15).
What are the key properties of undecanedioic acid?
undecanedioic acid has a molecular weight of 216.28 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecanedioic acid is sourced from PubChem (CID 15816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).