chempirical

4-Pentylbenzaldehyde

C12H16OCAS 6853-57-2176.26 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C12H16O
Molar mass
176.26 g/mol
Exact mass
176.1201 Da
Melting point
215 °C
Boiling point
215 °C (at 6 Torr)
logP
3.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
6853-57-2
SMILES
CCCCCc1ccc(C=O)cc1
InChIKey
NQVZPRUSNWNSQH-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-10H,2-5H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzaldehyde, 4-pentyl-
  • Benzaldehyde, p-pentyl-
  • p-Pentylbenzaldehyde
  • p-Amylbenzaldehyde

Work with 4-Pentylbenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Butylbenzaldehyde1200-14-288 % similar 4-Propylbenzaldehyde28785-06-074 % similar 4-(Pentyloxy)benzaldehyde5736-91-459 % similar 4-Ethylbenzaldehyde4748-78-159 % similar 4-(Octyloxy)benzaldehyde24083-13-457 % similar 4-(Heptyloxy)benzaldehyde27893-41-057 % similar 4-(Hexyloxy)benzaldehyde5736-94-757 % similar 4-Butoxybenzaldehyde5736-88-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7

Elsewhere

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