4-(3,4-diethylphenyl)pent-4-enal

C15H20O — CID 143272108

IUPAC4-(3,4-diethylphenyl)pent-4-enal
SMILESC=C(CCC=O)c1ccc(CC)c(CC)c1
InChIInChI=1S/C15H20O/c1-4-13-8-9-15(11-14(13)5-2)12(3)7-6-10-16/h8-11H,3-7H2,1-2H3
InChIKeyFCJBZBWTTQFKMP-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds6

About 4-(3,4-diethylphenyl)pent-4-enal

4-(3,4-diethylphenyl)pent-4-enal (PubChem CID 143272108) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-(3,4-diethylphenyl)pent-4-enal.

Molecular Properties

Compound Name4-(3,4-diethylphenyl)pent-4-enal
PubChem CID143272108
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name4-(3,4-diethylphenyl)pent-4-enal
SMILESC=C(CCC=O)c1ccc(CC)c(CC)c1
InChIInChI=1S/C15H20O/c1-4-13-8-9-15(11-14(13)5-2)12(3)7-6-10-16/h8-11H,3-7H2,1-2H3
InChIKeyFCJBZBWTTQFKMP-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethylphenyl)pent-4-enal?
The IUPAC name of 4-(3,4-diethylphenyl)pent-4-enal (CID 143272108) is 4-(3,4-diethylphenyl)pent-4-enal.
What is the SMILES notation for 4-(3,4-diethylphenyl)pent-4-enal?
The canonical SMILES for 4-(3,4-diethylphenyl)pent-4-enal is C=C(CCC=O)c1ccc(CC)c(CC)c1.
What is the InChIKey of 4-(3,4-diethylphenyl)pent-4-enal?
The InChIKey is FCJBZBWTTQFKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-13-8-9-15(11-14(13)5-2)12(3)7-6-10-16/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(3,4-diethylphenyl)pent-4-enal?
4-(3,4-diethylphenyl)pent-4-enal has a molecular weight of 216.32 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethylphenyl)pent-4-enal is sourced from PubChem (CID 143272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).