chempirical

4-(Heptyloxy)benzaldehyde

C14H20O2CAS 27893-41-0220.31 g/mol

Open in Covalent MOL file
OO
AldehydeEther

Properties

Molecular formula
C14H20O2
Molar mass
220.31 g/mol
Exact mass
220.1463 Da
Boiling point
162–164 °C
logP
3.85Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
27893-41-0
SMILES
CCCCCCCOc1ccc(C=O)cc1
InChIKey
YBCKMIZXHKVONZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3

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

Names and synonyms

6 names
  • Benzaldehyde, 4-(heptyloxy)-
  • Benzaldehyde, p-(heptyloxy)-
  • p-(Heptyloxy)benzaldehyde
  • p-(n-Heptyloxy)benzaldehyde
  • 4-(n-Heptyloxy)benzaldehyde
  • 4-Heptoxybenzaldehyde

Work with 4-(Heptyloxy)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Octyloxy)benzaldehyde24083-13-4100 % similar 4-(Hexyloxy)benzaldehyde5736-94-7100 % similar 4-(Pentyloxy)benzaldehyde5736-91-497 % similar 4-Butoxybenzaldehyde5736-88-987 % similar 4-Propoxybenzaldehyde5736-85-675 % similar 4-Ethoxybenzaldehyde10031-82-064 % similar 4-(Heptyloxy)phenol13037-86-058 % similar 4-(Hexyloxy)phenol18979-55-058 % similar

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

Same formula

Dimethylbenzylcarbinyl butyrate10094-34-5 2,5-Di-tert-butyl-1,4-benzoquinone2460-77-7 2-Methyl-2-adamantyl acrylate249562-06-9 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate2611-00-9 8-Phenyloctanoic acid26547-51-3 3,5-Di-tert-butyl-1,2-benzoquinone3383-21-9 Dicyclopentanyl methacrylate34759-34-7 4-Heptylbenzoic acid38350-87-7

Elsewhere

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