3-Decyne

C₁₀H₁₈CAS 2384-85-2138.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈
Molar mass: 138.25 g/mol
Exact mass: 138.1409 Da
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways20% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

2384-85-2

SMILES

CCCCCCC#CCC

InChIKey

JUWXVJKQNKKRLD-UHFFFAOYSA-N

InChI

InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-5,7,9-10H2,1-2H3

Weigh it out

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

Work with 3-Decyne

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-Undecyne60212-30-8100 % 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 5-Undecyne2294-72-670 % similar Hept-3-yne2586-89-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,9-Decadiene1647-16-1 2,7-Dimethyl-2,6-octadiene16736-42-8 5-Decyne1942-46-7 2-Decyne2384-70-5 4-Decyne2384-86-3 3,7-Dimethyl-1,6-octadiene2436-90-0 Pinane473-55-2 cis-Decalin493-01-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook