5-methyl-9-phenylnona-4,8-dienal

C16H20O — CID 71394074

IUPAC5-methyl-9-phenylnona-4,8-dienal
SMILESCC(=CCCC=O)CCC=Cc1ccccc1
InChIInChI=1S/C16H20O/c1-15(10-7-8-14-17)9-5-6-13-16-11-3-2-4-12-16/h2-4,6,10-14H,5,7-9H2,1H3
InChIKeyDIIZYACPZWGIDY-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.41
Rot. Bonds7

About 5-methyl-9-phenylnona-4,8-dienal

5-methyl-9-phenylnona-4,8-dienal (PubChem CID 71394074) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-methyl-9-phenylnona-4,8-dienal.

Molecular Properties

Compound Name5-methyl-9-phenylnona-4,8-dienal
PubChem CID71394074
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name5-methyl-9-phenylnona-4,8-dienal
SMILESCC(=CCCC=O)CCC=Cc1ccccc1
InChIInChI=1S/C16H20O/c1-15(10-7-8-14-17)9-5-6-13-16-11-3-2-4-12-16/h2-4,6,10-14H,5,7-9H2,1H3
InChIKeyDIIZYACPZWGIDY-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.41
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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Related Compounds

(E)-5-phenylpent-4-enal
CID 11105652
(E)-5-phenylpent-4-enoic acid
CID 5370650
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
7-phenylhept-6-en-2-one
CID 582607
dimethylamino (E)-5-phenylpent-4-enoate
CID 174423096
5-ethenylocta-1,5-dienylbenzene
CID 91256649
5-(4-methylphenyl)pent-4-enal
CID 85344490
(3,7-dimethyl-10-oxodeca-2,6-dienyl) benzoate
CID 71325361
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
trimethyl-[(E)-3-phenylprop-2-enyl]azanium
CID 6434151
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-phenylnona-4,8-dienal?
The IUPAC name of 5-methyl-9-phenylnona-4,8-dienal (CID 71394074) is 5-methyl-9-phenylnona-4,8-dienal.
What is the SMILES notation for 5-methyl-9-phenylnona-4,8-dienal?
The canonical SMILES for 5-methyl-9-phenylnona-4,8-dienal is CC(=CCCC=O)CCC=Cc1ccccc1.
What is the InChIKey of 5-methyl-9-phenylnona-4,8-dienal?
The InChIKey is DIIZYACPZWGIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-15(10-7-8-14-17)9-5-6-13-16-11-3-2-4-12-16/h2-4,6,10-14H,5,7-9H2,1H3.
What are the key properties of 5-methyl-9-phenylnona-4,8-dienal?
5-methyl-9-phenylnona-4,8-dienal has a molecular weight of 228.34 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-phenylnona-4,8-dienal is sourced from PubChem (CID 71394074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).