5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal

C16H16O — CID 155487828

IUPAC5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
SMILESCC=CC=Cc1ccc(C=CC=CC=O)cc1
InChIInChI=1S/C16H16O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-14H,1H3
InChIKeyJQKUIWLNEUKXQX-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.04
Rot. Bonds5

About 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal

5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal (PubChem CID 155487828) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal.

Molecular Properties

Compound Name5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
PubChem CID155487828
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
SMILESCC=CC=Cc1ccc(C=CC=CC=O)cc1
InChIInChI=1S/C16H16O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-14H,1H3
InChIKeyJQKUIWLNEUKXQX-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cinnamaldehyde
CID 637511
Benzylideneacetone
CID 637759
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
2-Benzylideneheptanal
CID 1712058
Amylcinnamaldehyde
CID 31209
3-Phenylprop-2-Enal
CID 307
4-Phenyl-3-Buten-2-one
CID 15909
alpha-METHYLCINNAMALDEHYDE
CID 5372813
alpha-Amylcinnamaldehyde, (E)-
CID 1623625
3-Phenyl-2-methylacrolein
CID 5354896
p-Methylcinnamaldehyde
CID 5371802

Frequently Asked Questions

What is the IUPAC name of 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal?
The IUPAC name of 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal (CID 155487828) is 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal.
What is the SMILES notation for 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal?
The canonical SMILES for 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal is CC=CC=Cc1ccc(C=CC=CC=O)cc1.
What is the InChIKey of 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal?
The InChIKey is JQKUIWLNEUKXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-5-8-15-10-12-16(13-11-15)9-6-4-7-14-17/h2-14H,1H3.
What are the key properties of 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal?
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal has a molecular weight of 224.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal is sourced from PubChem (CID 155487828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).