(E)-5-phenylpent-4-enal

C11H12O — CID 11105652

IUPAC(E)-5-phenylpent-4-enal
SMILESO=CCC/C=C/c1ccccc1
InChIInChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-10H,2,6H2/b9-5+
InChIKeyBHUURXZEJNOOBQ-WEVVVXLNSA-N
MW160.22 g/mol
LogP2.68
Rot. Bonds4

About (E)-5-phenylpent-4-enal

(E)-5-phenylpent-4-enal (PubChem CID 11105652) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (E)-5-phenylpent-4-enal.

Molecular Properties

Compound Name(E)-5-phenylpent-4-enal
PubChem CID11105652
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(E)-5-phenylpent-4-enal
SMILESO=CCC/C=C/c1ccccc1
InChIInChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-10H,2,6H2/b9-5+
InChIKeyBHUURXZEJNOOBQ-WEVVVXLNSA-N
XLogP2.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.68
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'}

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Related Compounds

5-methyl-9-phenylnona-4,8-dienal
CID 71394074
5-(4-methylphenyl)pent-4-enal
CID 85344490
[(E)-5-iodopent-1-enyl]benzene
CID 87330563
4-phenylbut-3-enyl formate
CID 91350820
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-phenylpent-4-enoic acid
CID 5370650
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
(2E,6Z)-7-phenylhepta-2,6-dienoyl chloride
CID 88613948
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
pentanedial;3-phenylprop-2-enal
CID 174110085
dichloro-[(E)-5-phenylpent-4-enylidene]ruthenium
CID 23519266
6-phenylhex-5-enyl formate
CID 91069626

Frequently Asked Questions

What is the IUPAC name of (E)-5-phenylpent-4-enal?
The IUPAC name of (E)-5-phenylpent-4-enal (CID 11105652) is (E)-5-phenylpent-4-enal.
What is the SMILES notation for (E)-5-phenylpent-4-enal?
The canonical SMILES for (E)-5-phenylpent-4-enal is O=CCC/C=C/c1ccccc1.
What is the InChIKey of (E)-5-phenylpent-4-enal?
The InChIKey is BHUURXZEJNOOBQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-5,7-10H,2,6H2/b9-5+.
What are the key properties of (E)-5-phenylpent-4-enal?
(E)-5-phenylpent-4-enal has a molecular weight of 160.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenylpent-4-enal is sourced from PubChem (CID 11105652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).