(E)-2-cyclohexyl-3,5-diphenylpent-4-enal

C23H26O — CID 54752589

IUPAC(E)-2-cyclohexyl-3,5-diphenylpent-4-enal
SMILESO=CC(C1CCCCC1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O/c24-18-23(21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,16-18,21-23H,3,8-9,14-15H2/b17-16+
InChIKeyVQXFZYACNVLOKL-WUKNDPDISA-N
MW318.46 g/mol
LogP5.88
Rot. Bonds6

About (E)-2-cyclohexyl-3,5-diphenylpent-4-enal

(E)-2-cyclohexyl-3,5-diphenylpent-4-enal (PubChem CID 54752589) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is (E)-2-cyclohexyl-3,5-diphenylpent-4-enal.

Molecular Properties

Compound Name(E)-2-cyclohexyl-3,5-diphenylpent-4-enal
PubChem CID54752589
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name(E)-2-cyclohexyl-3,5-diphenylpent-4-enal
SMILESO=CC(C1CCCCC1)C(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26O/c24-18-23(21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,16-18,21-23H,3,8-9,14-15H2/b17-16+
InChIKeyVQXFZYACNVLOKL-WUKNDPDISA-N
XLogP5.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.88
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

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CID 101200001
(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
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CID 10248961
4-[(1R,2S)-1-hydroxy-2,4-diphenylbut-3-enyl]benzonitrile
CID 134938938
(2,2-dicyclohexyl-1-phenylethyl)phosphane
CID 91484013
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
(1S,2R,3Z,5E)-1,2,6-triphenylhexa-3,5-dien-1-ol
CID 155932979
cyclohexyl(phenyl)methanamine
CID 11064121
2-cyclohexyloxyethenylbenzene
CID 67017506

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclohexyl-3,5-diphenylpent-4-enal?
The IUPAC name of (E)-2-cyclohexyl-3,5-diphenylpent-4-enal (CID 54752589) is (E)-2-cyclohexyl-3,5-diphenylpent-4-enal.
What is the SMILES notation for (E)-2-cyclohexyl-3,5-diphenylpent-4-enal?
The canonical SMILES for (E)-2-cyclohexyl-3,5-diphenylpent-4-enal is O=CC(C1CCCCC1)C(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-cyclohexyl-3,5-diphenylpent-4-enal?
The InChIKey is VQXFZYACNVLOKL-WUKNDPDISA-N. The full InChI is InChI=1S/C23H26O/c24-18-23(21-14-8-3-9-15-21)22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-2,4-7,10-13,16-18,21-23H,3,8-9,14-15H2/b17-16+.
What are the key properties of (E)-2-cyclohexyl-3,5-diphenylpent-4-enal?
(E)-2-cyclohexyl-3,5-diphenylpent-4-enal has a molecular weight of 318.46 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclohexyl-3,5-diphenylpent-4-enal is sourced from PubChem (CID 54752589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).