4-(Pentyloxy)benzaldehyde

C₁₂H₁₆O₂CAS 5736-91-4192.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆O₂
Molar mass: 192.26 g/mol
Exact mass: 192.1150 Da
Boiling point: 145–146 °C (at 5 Torr)
logP: 3.07Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

5736-91-4

SMILES

CCCCCOc1ccc(C=O)cc1

InChIKey

YAPVGSXODFOBBR-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O2/c1-2-3-4-9-14-12-7-5-11(10-13)6-8-12/h5-8,10H,2-4,9H2,1H3

Weigh it out

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

Names and synonyms

7 names

Benzaldehyde, 4-(pentyloxy)-
Benzaldehyde, p-(pentyloxy)-
p-(Pentyloxy)benzaldehyde
4-Pentoxybenzaldehyde
p-Pentoxybenzaldehyde
4-n-Pentoxybenzaldehyde
NSC 69105

Work with 4-(Pentyloxy)benzaldehyde

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-(Octyloxy)benzaldehyde24083-13-497 % similar 4-(Heptyloxy)benzaldehyde27893-41-097 % similar 4-(Hexyloxy)benzaldehyde5736-94-797 % similar 4-Butoxybenzaldehyde5736-88-990 % similar 4-Propoxybenzaldehyde5736-85-677 % similar 4-Ethoxybenzaldehyde10031-82-066 % similar 4-Pentylbenzaldehyde6853-57-259 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-557 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook