2-ethenylnonanoic acid

C11H20O2 — CID 15013220

IUPAC2-ethenylnonanoic acid
SMILESC=CC(CCCCCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyAZHVFQVDVBUDPZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds8

About 2-ethenylnonanoic acid

2-ethenylnonanoic acid (PubChem CID 15013220) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethenylnonanoic acid.

Molecular Properties

Compound Name2-ethenylnonanoic acid
PubChem CID15013220
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethenylnonanoic acid
SMILESC=CC(CCCCCCC)C(=O)O
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyAZHVFQVDVBUDPZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
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 2-ethenylnonanoic acid?
The IUPAC name of 2-ethenylnonanoic acid (CID 15013220) is 2-ethenylnonanoic acid.
What is the SMILES notation for 2-ethenylnonanoic acid?
The canonical SMILES for 2-ethenylnonanoic acid is C=CC(CCCCCCC)C(=O)O.
What is the InChIKey of 2-ethenylnonanoic acid?
The InChIKey is AZHVFQVDVBUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10(4-2)11(12)13/h4,10H,2-3,5-9H2,1H3,(H,12,13).
What are the key properties of 2-ethenylnonanoic acid?
2-ethenylnonanoic acid has a molecular weight of 184.28 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylnonanoic acid is sourced from PubChem (CID 15013220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).