5-methyl-2,6-diphenylhex-5-enal

C19H20O — CID 173438897

IUPAC5-methyl-2,6-diphenylhex-5-enal
SMILESCC(=Cc1ccccc1)CCC(C=O)c1ccccc1
InChIInChI=1S/C19H20O/c1-16(14-17-8-4-2-5-9-17)12-13-19(15-20)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3
InChIKeyOFTIMPUTMYIIEC-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.85
Rot. Bonds6

About 5-methyl-2,6-diphenylhex-5-enal

5-methyl-2,6-diphenylhex-5-enal (PubChem CID 173438897) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-2,6-diphenylhex-5-enal.

Molecular Properties

Compound Name5-methyl-2,6-diphenylhex-5-enal
PubChem CID173438897
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name5-methyl-2,6-diphenylhex-5-enal
SMILESCC(=Cc1ccccc1)CCC(C=O)c1ccccc1
InChIInChI=1S/C19H20O/c1-16(14-17-8-4-2-5-9-17)12-13-19(15-20)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3
InChIKeyOFTIMPUTMYIIEC-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
trimethyl-[(E)-3-methyl-4-phenylbut-3-enyl]silane
CID 102166137
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
5-methyl-2-methylidene-6-phenylhex-5-enoic acid
CID 67161387
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316
2-phenylbutanal;[(E)-prop-1-enyl]benzene
CID 23461088
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
3-(dimethylamino)-2-phenylpropanal
CID 174693852
(Z,2S)-2-phenylnon-6-enal
CID 135041742

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,6-diphenylhex-5-enal?
The IUPAC name of 5-methyl-2,6-diphenylhex-5-enal (CID 173438897) is 5-methyl-2,6-diphenylhex-5-enal.
What is the SMILES notation for 5-methyl-2,6-diphenylhex-5-enal?
The canonical SMILES for 5-methyl-2,6-diphenylhex-5-enal is CC(=Cc1ccccc1)CCC(C=O)c1ccccc1.
What is the InChIKey of 5-methyl-2,6-diphenylhex-5-enal?
The InChIKey is OFTIMPUTMYIIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-16(14-17-8-4-2-5-9-17)12-13-19(15-20)18-10-6-3-7-11-18/h2-11,14-15,19H,12-13H2,1H3.
What are the key properties of 5-methyl-2,6-diphenylhex-5-enal?
5-methyl-2,6-diphenylhex-5-enal has a molecular weight of 264.37 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,6-diphenylhex-5-enal is sourced from PubChem (CID 173438897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).