(5E,10E)-pentadeca-5,10-dienal

C15H26O — CID 5283372

IUPAC(5E,10E)-pentadeca-5,10-dienal
SMILESCCCC/C=C/CCC/C=C/CCCC=O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3/b6-5+,11-10+
InChIKeyQVECBYWMAHQYNQ-RINXSNKBSA-N
MW222.37 g/mol
LogP4.83
Rot. Bonds11

About (5E,10E)-pentadeca-5,10-dienal

(5E,10E)-pentadeca-5,10-dienal (PubChem CID 5283372) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (5E,10E)-pentadeca-5,10-dienal.

Molecular Properties

Compound Name(5E,10E)-pentadeca-5,10-dienal
PubChem CID5283372
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(5E,10E)-pentadeca-5,10-dienal
SMILESCCCC/C=C/CCC/C=C/CCCC=O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3/b6-5+,11-10+
InChIKeyQVECBYWMAHQYNQ-RINXSNKBSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.83
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E,10E)-pentadeca-5,10-dienal?
The IUPAC name of (5E,10E)-pentadeca-5,10-dienal (CID 5283372) is (5E,10E)-pentadeca-5,10-dienal.
What is the SMILES notation for (5E,10E)-pentadeca-5,10-dienal?
The canonical SMILES for (5E,10E)-pentadeca-5,10-dienal is CCCC/C=C/CCC/C=C/CCCC=O.
What is the InChIKey of (5E,10E)-pentadeca-5,10-dienal?
The InChIKey is QVECBYWMAHQYNQ-RINXSNKBSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3/b6-5+,11-10+.
What are the key properties of (5E,10E)-pentadeca-5,10-dienal?
(5E,10E)-pentadeca-5,10-dienal has a molecular weight of 222.37 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10E)-pentadeca-5,10-dienal is sourced from PubChem (CID 5283372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).