undeca-5,8-dienoic acid

C11H18O2 — CID 90819284

IUPACundeca-5,8-dienoic acid
SMILESCCC=CCC=CCCCC(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,13)
InChIKeyGMXPWUDCZWPMBL-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.15
Rot. Bonds7

About undeca-5,8-dienoic acid

undeca-5,8-dienoic acid (PubChem CID 90819284) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is undeca-5,8-dienoic acid.

Molecular Properties

Compound Nameundeca-5,8-dienoic acid
PubChem CID90819284
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameundeca-5,8-dienoic acid
SMILESCCC=CCC=CCCCC(=O)O
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,13)
InChIKeyGMXPWUDCZWPMBL-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of undeca-5,8-dienoic acid?
The IUPAC name of undeca-5,8-dienoic acid (CID 90819284) is undeca-5,8-dienoic acid.
What is the SMILES notation for undeca-5,8-dienoic acid?
The canonical SMILES for undeca-5,8-dienoic acid is CCC=CCC=CCCCC(=O)O.
What is the InChIKey of undeca-5,8-dienoic acid?
The InChIKey is GMXPWUDCZWPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h3-4,6-7H,2,5,8-10H2,1H3,(H,12,13).
What are the key properties of undeca-5,8-dienoic acid?
undeca-5,8-dienoic acid has a molecular weight of 182.26 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-5,8-dienoic acid is sourced from PubChem (CID 90819284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).