(E)-4-(2,3-diethylphenyl)but-3-enal;ethane

C16H24O — CID 156709204

IUPAC(E)-4-(2,3-diethylphenyl)but-3-enal;ethane
SMILESCC.CCc1cccc(/C=C/CC=O)c1CC
InChIInChI=1S/C14H18O.C2H6/c1-3-12-9-7-10-13(14(12)4-2)8-5-6-11-15;1-2/h5,7-11H,3-4,6H2,1-2H3;1-2H3/b8-5+;
InChIKeyTWVRBJQQFOLEJY-HAAWTFQLSA-N
MW232.37 g/mol
LogP4.44
Rot. Bonds5

About (E)-4-(2,3-diethylphenyl)but-3-enal;ethane

(E)-4-(2,3-diethylphenyl)but-3-enal;ethane (PubChem CID 156709204) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (E)-4-(2,3-diethylphenyl)but-3-enal;ethane.

Molecular Properties

Compound Name(E)-4-(2,3-diethylphenyl)but-3-enal;ethane
PubChem CID156709204
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(E)-4-(2,3-diethylphenyl)but-3-enal;ethane
SMILESCC.CCc1cccc(/C=C/CC=O)c1CC
InChIInChI=1S/C14H18O.C2H6/c1-3-12-9-7-10-13(14(12)4-2)8-5-6-11-15;1-2/h5,7-11H,3-4,6H2,1-2H3;1-2H3/b8-5+;
InChIKeyTWVRBJQQFOLEJY-HAAWTFQLSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.44
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 (E)-4-(2,3-diethylphenyl)but-3-enal;ethane?
The IUPAC name of (E)-4-(2,3-diethylphenyl)but-3-enal;ethane (CID 156709204) is (E)-4-(2,3-diethylphenyl)but-3-enal;ethane.
What is the SMILES notation for (E)-4-(2,3-diethylphenyl)but-3-enal;ethane?
The canonical SMILES for (E)-4-(2,3-diethylphenyl)but-3-enal;ethane is CC.CCc1cccc(/C=C/CC=O)c1CC.
What is the InChIKey of (E)-4-(2,3-diethylphenyl)but-3-enal;ethane?
The InChIKey is TWVRBJQQFOLEJY-HAAWTFQLSA-N. The full InChI is InChI=1S/C14H18O.C2H6/c1-3-12-9-7-10-13(14(12)4-2)8-5-6-11-15;1-2/h5,7-11H,3-4,6H2,1-2H3;1-2H3/b8-5+;.
What are the key properties of (E)-4-(2,3-diethylphenyl)but-3-enal;ethane?
(E)-4-(2,3-diethylphenyl)but-3-enal;ethane has a molecular weight of 232.37 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-diethylphenyl)but-3-enal;ethane is sourced from PubChem (CID 156709204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).