4-Nonyne

C₉H₁₆CAS 20184-91-2124.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₆
Molar mass: 124.23 g/mol
Exact mass: 124.1252 Da
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways80% 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

20184-91-2

SMILES

CCCCC#CCCC

InChIKey

RAYTXPDVKZFUEI-UHFFFAOYSA-N

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3

Weigh it out

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

Work with 4-Nonyne

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

5-Decyne1942-46-787 % similar 4-Decyne2384-86-382 % similar 5-Undecyne2294-72-676 % similar 4-Octyne1942-45-673 % similar 5-Dodecyne19780-12-272 % similar 6-Dodecyne6975-99-171 % similar Oct-3-yne15232-76-568 % similar 2-Heptyn-1-ol1002-36-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Nonyne19447-29-1 3-Nonyne20184-89-8 Allylcyclohexane2114-42-3 1-Nonyne3452-09-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook