6-Dodecyne

C₁₂H₂₂CAS 6975-99-1166.31 g/mol

Open in Covalent MOL file

Alkyne

Properties

Molecular formula: C₁₂H₂₂
Molar mass: 166.31 g/mol
Exact mass: 166.1722 Da
logP: 4.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Danger

H304 May be fatal if swallowed and enters airways50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

6975-99-1

SMILES

CCCCCC#CCCCCC

InChIKey

IHPFQAOOSAGSPN-UHFFFAOYSA-N

InChI

InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

Weigh it out

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

Work with 6-Dodecyne

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-Undecyne2294-72-693 % similar 4-Decyne2384-86-388 % similar 5-Decyne1942-46-780 % similar 3-Nonyne20184-89-878 % similar 3-Decyne2384-85-274 % similar 3-Undecyne60212-30-874 % similar 4-Nonyne20184-91-271 % similar 1-Bromo-2-octyne18495-27-770 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyclododecene1501-82-2 5-Dodecyne19780-12-2 1-Dodecyne765-03-7 Bicyclohexyl92-51-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook