2,4-dipentylbenzaldehyde

C17H26O — CID 19008550

IUPAC2,4-dipentylbenzaldehyde
SMILESCCCCCc1ccc(C=O)c(CCCCC)c1
InChIInChI=1S/C17H26O/c1-3-5-7-9-15-11-12-17(14-18)16(13-15)10-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyIEPIHVGKNLIVJB-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.96
Rot. Bonds9

About 2,4-dipentylbenzaldehyde

2,4-dipentylbenzaldehyde (PubChem CID 19008550) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2,4-dipentylbenzaldehyde.

Molecular Properties

Compound Name2,4-dipentylbenzaldehyde
PubChem CID19008550
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2,4-dipentylbenzaldehyde
SMILESCCCCCc1ccc(C=O)c(CCCCC)c1
InChIInChI=1S/C17H26O/c1-3-5-7-9-15-11-12-17(14-18)16(13-15)10-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyIEPIHVGKNLIVJB-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.96
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

2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
2-[4-(4-butylphenyl)butyl]benzaldehyde
CID 19847933
4-butyl-2-chlorobenzaldehyde
CID 106659115
magnesium;hydride;2-hydroxy-5-nonylbenzaldehyde
CID 174742388
5-butyl-2-fluorobenzaldehyde
CID 106659110
3-(2,4-dibutylphenyl)prop-2-enamide
CID 175009231
4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
3-(3-formyl-2-hydroxy-6-octylphenyl)-2-hydroxy-4-octylbenzaldehyde
CID 101174824
ethane;4-pentylbenzaldehyde
CID 143882863
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2-bromo-1-[(Z)-2-(2-bromo-4-pentylphenyl)ethenyl]-4-pentylbenzene
CID 134887709

Frequently Asked Questions

What is the IUPAC name of 2,4-dipentylbenzaldehyde?
The IUPAC name of 2,4-dipentylbenzaldehyde (CID 19008550) is 2,4-dipentylbenzaldehyde.
What is the SMILES notation for 2,4-dipentylbenzaldehyde?
The canonical SMILES for 2,4-dipentylbenzaldehyde is CCCCCc1ccc(C=O)c(CCCCC)c1.
What is the InChIKey of 2,4-dipentylbenzaldehyde?
The InChIKey is IEPIHVGKNLIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-7-9-15-11-12-17(14-18)16(13-15)10-8-6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,4-dipentylbenzaldehyde?
2,4-dipentylbenzaldehyde has a molecular weight of 246.39 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipentylbenzaldehyde is sourced from PubChem (CID 19008550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).