8-oxodeca-2,9-dienal

C10H14O2 — CID 88506212

IUPAC8-oxodeca-2,9-dienal
SMILESC=CC(=O)CCCCC=CC=O
InChIInChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,9H,1,3-4,6,8H2
InChIKeyMOXRPOUPHJUXSW-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds7

About 8-oxodeca-2,9-dienal

8-oxodeca-2,9-dienal (PubChem CID 88506212) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 8-oxodeca-2,9-dienal.

Molecular Properties

Compound Name8-oxodeca-2,9-dienal
PubChem CID88506212
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name8-oxodeca-2,9-dienal
SMILESC=CC(=O)CCCCC=CC=O
InChIInChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,9H,1,3-4,6,8H2
InChIKeyMOXRPOUPHJUXSW-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-oxodeca-2,9-dienal 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 8-oxodeca-2,9-dienal?
The IUPAC name of 8-oxodeca-2,9-dienal (CID 88506212) is 8-oxodeca-2,9-dienal.
What is the SMILES notation for 8-oxodeca-2,9-dienal?
The canonical SMILES for 8-oxodeca-2,9-dienal is C=CC(=O)CCCCC=CC=O.
What is the InChIKey of 8-oxodeca-2,9-dienal?
The InChIKey is MOXRPOUPHJUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(12)8-6-4-3-5-7-9-11/h2,5,7,9H,1,3-4,6,8H2.
What are the key properties of 8-oxodeca-2,9-dienal?
8-oxodeca-2,9-dienal has a molecular weight of 166.22 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxodeca-2,9-dienal is sourced from PubChem (CID 88506212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).