12-Methyltridecanal

C₁₄H₂₈OCAS 75853-49-5212.38 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₈O
Molar mass: 212.38 g/mol
Exact mass: 212.2140 Da
Density: 0.93–0.941 g/mL
Boiling point: 86–88 °C (at 0.3 Torr)
logP: 4.74Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 11

Hazards

Warning

H315 Causes skin irritation> 99.9% of notifiers
H319 Causes serious eye irritation> 99.9% of notifiers
H335 May cause respiratory irritation99.9% of notifiers

Aggregated from 1,379 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

75853-49-5

SMILES

CC(C)CCCCCCCCCCC=O

InChIKey

OQWNKUAZQSLNSR-UHFFFAOYSA-N

InChI

InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3

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Names and synonyms

1 names

Tridecanal, 12-methyl-

Work with 12-Methyltridecanal

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

2,7-Dimethyloctane1072-16-852 % similar Hexanedial1072-21-552 % similar Tridecanal10486-19-850 % similar Heptanal111-71-750 % similar Decanal112-31-250 % similar Undecanal112-44-750 % similar Dodecanal112-54-950 % similar Octanal124-13-050 % similar

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

Same formula

Myristyl aldehyde124-25-4 2-Tetradecanone2345-27-9 1,2-Epoxytetradecane3234-28-4

Elsewhere

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