4-(1-Hexyn-1-yl)benzaldehyde

C₁₃H₁₄OCAS 175203-90-4186.25 g/mol

Open in Covalent MOL file

Aldehyde Alkyne

Properties

Molecular formula: C₁₃H₁₄O
Molar mass: 186.25 g/mol
Exact mass: 186.1045 Da
logP: 3.04Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

175203-90-4

SMILES

CCCCC#Cc1ccc(C=O)cc1

InChIKey

MDAJCLIURGBJKY-UHFFFAOYSA-N

InChI

InChI=1S/C13H14O/c1-2-3-4-5-6-12-7-9-13(11-14)10-8-12/h7-11H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzaldehyde, 4-(1-hexyn-1-yl)-
Benzaldehyde, 4-(1-hexynyl)-
1-(4-Formylphenyl)-1-hexyne
4-(Hex-1-ynyl)benzaldehyde

Work with 4-(1-Hexyn-1-yl)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

1-Hexyn-1-ylbenzene1129-65-359 % similar 4-Butylbenzaldehyde1200-14-254 % similar 1-Heptyn-1-ylbenzene14374-45-953 % similar 4-Pentylbenzaldehyde6853-57-253 % similar 4-Butoxybenzaldehyde5736-88-949 % similar 4-Propylbenzaldehyde28785-06-049 % similar 4-(Pentyloxy)benzaldehyde5736-91-448 % similar 4-(Octyloxy)benzaldehyde24083-13-446 % similar

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

Same formula

2-Benzylidenecyclohexanone5682-83-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook