3-Nonyne

C₉H₁₆CAS 20184-89-8124.23 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 airways100% of notifiers

Aggregated from the 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

20184-89-8

SMILES

CCCCCC#CCC

InChIKey

SRRDSRCWRHKEKU-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3-Decyne2384-85-295 % similar 3-Undecyne60212-30-895 % similar Oct-3-yne15232-76-584 % similar 3,9-Dodecadiyne61827-89-278 % similar 6-Dodecyne6975-99-178 % similar 5-Undecyne2294-72-674 % similar 5-Dodecyne19780-12-270 % similar 4-Decyne2384-86-370 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Nonyne19447-29-1 4-Nonyne20184-91-2 Allylcyclohexane2114-42-3 1-Nonyne3452-09-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook