nona-5,6-dienal

C9H14O — CID 118451488

IUPACnona-5,6-dienal
SMILESCCC=C=CCCCC=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3,5,9H,2,6-8H2,1H3
InChIKeyAPPSZMFPUFXCNU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.48
Rot. Bonds5

About nona-5,6-dienal

nona-5,6-dienal (PubChem CID 118451488) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is nona-5,6-dienal.

Molecular Properties

Compound Namenona-5,6-dienal
PubChem CID118451488
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenona-5,6-dienal
SMILESCCC=C=CCCCC=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3,5,9H,2,6-8H2,1H3
InChIKeyAPPSZMFPUFXCNU-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nona-5,6-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 nona-5,6-dienal?
The IUPAC name of nona-5,6-dienal (CID 118451488) is nona-5,6-dienal.
What is the SMILES notation for nona-5,6-dienal?
The canonical SMILES for nona-5,6-dienal is CCC=C=CCCCC=O.
What is the InChIKey of nona-5,6-dienal?
The InChIKey is APPSZMFPUFXCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3,5,9H,2,6-8H2,1H3.
What are the key properties of nona-5,6-dienal?
nona-5,6-dienal has a molecular weight of 138.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-5,6-dienal is sourced from PubChem (CID 118451488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).