deca-4,7,9-trienal

C10H14O — CID 54478427

IUPACdeca-4,7,9-trienal
SMILESC=CC=CCC=CCCC=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2
InChIKeyXNGIXADMMBFYIY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds6

About deca-4,7,9-trienal

deca-4,7,9-trienal (PubChem CID 54478427) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is deca-4,7,9-trienal.

Molecular Properties

Compound Namedeca-4,7,9-trienal
PubChem CID54478427
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namedeca-4,7,9-trienal
SMILESC=CC=CCC=CCCC=O
InChIInChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2
InChIKeyXNGIXADMMBFYIY-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of deca-4,7,9-trienal?
The IUPAC name of deca-4,7,9-trienal (CID 54478427) is deca-4,7,9-trienal.
What is the SMILES notation for deca-4,7,9-trienal?
The canonical SMILES for deca-4,7,9-trienal is C=CC=CCC=CCCC=O.
What is the InChIKey of deca-4,7,9-trienal?
The InChIKey is XNGIXADMMBFYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h2-4,6-7,10H,1,5,8-9H2.
What are the key properties of deca-4,7,9-trienal?
deca-4,7,9-trienal has a molecular weight of 150.22 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,7,9-trienal is sourced from PubChem (CID 54478427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).