3-Undecyne

C₁₁H₂₀CAS 60212-30-8152.28 g/mol

Open in Covalent MOL file

Alkyne

Properties

Molecular formula: C₁₁H₂₀
Molar mass: 152.28 g/mol
Exact mass: 152.1565 Da
logP: 3.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Danger

H304 May be fatal if swallowed and enters airways20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60212-30-8

SMILES

CCCCCCCC#CCC

InChIKey

DPWGJNPCPLQVKQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-5,7,9-11H2,1-2H3

Weigh it out

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

Work with 3-Undecyne

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

3-Decyne2384-85-2100 % similar 3-Nonyne20184-89-895 % similar Oct-3-yne15232-76-580 % similar 5-Dodecyne19780-12-275 % similar 3,9-Dodecadiyne61827-89-274 % similar 6-Dodecyne6975-99-174 % similar 4-Decyne2384-86-367 % similar Hept-3-yne2586-89-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Undecyne2243-98-3 5-Undecyne2294-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook