nona-3,6-dienal

C9H14O — CID 519906

IUPACnona-3,6-dienal
SMILESCCC=CCC=CCC=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyFIDBXHOCOXRPRO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.49
Rot. Bonds5

About nona-3,6-dienal

nona-3,6-dienal (PubChem CID 519906) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is nona-3,6-dienal.

Molecular Properties

Compound Namenona-3,6-dienal
PubChem CID519906
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Namenona-3,6-dienal
SMILESCCC=CCC=CCC=O
InChIInChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyFIDBXHOCOXRPRO-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze nona-3,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5362620
CID 5362620
CID 5364752
CID 5364752
CID 643731
CID 643731
CID 61875
CID 61875
CID 643941
CID 643941
CID 5362814
CID 5362814
CID 5283308
CID 5283308
CID 12993
CID 12993
CID 636687
CID 636687
CID 643139
CID 643139
CID 5352808
CID 5352808
CID 11196
CID 11196

Frequently Asked Questions

What is the IUPAC name of nona-3,6-dienal?
The IUPAC name of nona-3,6-dienal (CID 519906) is nona-3,6-dienal.
What is the SMILES notation for nona-3,6-dienal?
The canonical SMILES for nona-3,6-dienal is CCC=CCC=CCC=O.
What is the InChIKey of nona-3,6-dienal?
The InChIKey is FIDBXHOCOXRPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of nona-3,6-dienal?
nona-3,6-dienal has a molecular weight of 138.21 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-3,6-dienal is sourced from PubChem (CID 519906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).