1,9-Decadiyne

C₁₀H₁₄CAS 1720-38-3134.22 g/mol

Open in Covalent MOL file

Alkyne

Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
Density: 0.8288 g/mL (at 24.34 °C)
Boiling point: 68–71 °C (at NaN Torr)
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Danger

H226 Flammable liquid and vapor71.4% of notifiers
H304 May be fatal if swallowed and enters airways14.3% of notifiers
H315 Causes skin irritation28.6% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1720-38-3

SMILES

C#CCCCCCCC#C

InChIKey

ILVDYAGPHFWNQI-UHFFFAOYSA-N

InChI

InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2

Weigh it out

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

Work with 1,9-Decadiyne

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

1,8-Nonadiyne2396-65-8100 % similar 1,7-Octadiyne871-84-192 % similar 1,6-Heptadiyne2396-63-677 % similar 1-Undecyne2243-98-367 % similar 1-Heptadecyne26186-00-567 % similar 1-Tridecyne26186-02-767 % similar 10-Undecyn-1-ol2774-84-767 % similar 1-Nonyne3452-09-367 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 Prehnitene488-23-3 Isodurene527-53-7 O-Cymene527-84-4

Elsewhere

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