oct-3-enoic acid

C8H14O2 — CID 15307

IUPACoct-3-enoic acid
SMILESCCCCC=CCC(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
InChIKeyIWPOSDLLFZKGOW-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds5

About oct-3-enoic acid

oct-3-enoic acid (PubChem CID 15307) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is oct-3-enoic acid.

Molecular Properties

Compound Nameoct-3-enoic acid
PubChem CID15307
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameoct-3-enoic acid
SMILESCCCCC=CCC(=O)O
InChIInChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)
InChIKeyIWPOSDLLFZKGOW-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
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'}

Analyze oct-3-enoic 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 oct-3-enoic acid?
The IUPAC name of oct-3-enoic acid (CID 15307) is oct-3-enoic acid.
What is the SMILES notation for oct-3-enoic acid?
The canonical SMILES for oct-3-enoic acid is CCCCC=CCC(=O)O.
What is the InChIKey of oct-3-enoic acid?
The InChIKey is IWPOSDLLFZKGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10).
What are the key properties of oct-3-enoic acid?
oct-3-enoic acid has a molecular weight of 142.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-3-enoic acid is sourced from PubChem (CID 15307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).