2-[(3,4-diethylphenyl)methyl]pentanal

C16H24O — CID 90943842

IUPAC2-[(3,4-diethylphenyl)methyl]pentanal
SMILESCCCC(C=O)Cc1ccc(CC)c(CC)c1
InChIInChI=1S/C16H24O/c1-4-7-14(12-17)10-13-8-9-15(5-2)16(6-3)11-13/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeyMAVFLKLTHZFXEW-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.97
Rot. Bonds7

About 2-[(3,4-diethylphenyl)methyl]pentanal

2-[(3,4-diethylphenyl)methyl]pentanal (PubChem CID 90943842) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(3,4-diethylphenyl)methyl]pentanal.

Molecular Properties

Compound Name2-[(3,4-diethylphenyl)methyl]pentanal
PubChem CID90943842
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name2-[(3,4-diethylphenyl)methyl]pentanal
SMILESCCCC(C=O)Cc1ccc(CC)c(CC)c1
InChIInChI=1S/C16H24O/c1-4-7-14(12-17)10-13-8-9-15(5-2)16(6-3)11-13/h8-9,11-12,14H,4-7,10H2,1-3H3
InChIKeyMAVFLKLTHZFXEW-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.97
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 2-[(3,4-diethylphenyl)methyl]pentanal?
The IUPAC name of 2-[(3,4-diethylphenyl)methyl]pentanal (CID 90943842) is 2-[(3,4-diethylphenyl)methyl]pentanal.
What is the SMILES notation for 2-[(3,4-diethylphenyl)methyl]pentanal?
The canonical SMILES for 2-[(3,4-diethylphenyl)methyl]pentanal is CCCC(C=O)Cc1ccc(CC)c(CC)c1.
What is the InChIKey of 2-[(3,4-diethylphenyl)methyl]pentanal?
The InChIKey is MAVFLKLTHZFXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-7-14(12-17)10-13-8-9-15(5-2)16(6-3)11-13/h8-9,11-12,14H,4-7,10H2,1-3H3.
What are the key properties of 2-[(3,4-diethylphenyl)methyl]pentanal?
2-[(3,4-diethylphenyl)methyl]pentanal has a molecular weight of 232.37 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-diethylphenyl)methyl]pentanal is sourced from PubChem (CID 90943842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).