Ethynyltributyltin

C₁₄H₂₈SnCAS 994-89-8315.09 g/mol

Open in Covalent MOL file

Alkyne

Properties

Molecular formula: C₁₄H₂₈Sn
Molar mass: 315.09 g/mol
Exact mass: 316.1213 Da
logP: 5.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 9

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure97.9% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects20.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

994-89-8

SMILES

CCCC[Sn](CCCC)(CCCC)C#C

InChIKey

YEMJHNYABQHWHL-UHFFFAOYSA-N

InChI

InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;

Weigh it out

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

Names and synonyms

1 names

Tributylstannylacetylene

Work with Ethynyltributyltin

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

Tetrabutyltin1461-25-245 % similar trans-1,2-Bis(tri-N-butylstannyl)ethylene14275-61-740 % similar Tributyltin oxide56-35-940 % similar 1-Hexyne693-02-740 % similar 1-Heptyne628-71-738 % similar 1-Undecyne2243-98-337 % similar 1-Heptadecyne26186-00-537 % similar 1-Tridecyne26186-02-737 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook