3,9-Dodecadiyne

C12H18CAS 61827-89-2162.28 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
61827-89-2
SMILES
CCC#CCCCCC#CCC
InChIKey
SLQXYOMUNKJHRV-UHFFFAOYSA-N
InChI
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4,9-12H2,1-2H3

Weigh it out

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

Work with 3,9-Dodecadiyne

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-Nonyne20184-89-878 % similar 3-Decyne2384-85-274 % similar 3-Undecyne60212-30-874 % similar Oct-3-yne15232-76-572 % similar 10-Chloro-3-decyne18295-64-267 % similar 3-Hexyne928-49-464 % similar Hept-3-yne2586-89-261 % similar 6-Dodecyne6975-99-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1-tert-Butyl-3-ethylbenzene14411-56-4 Bis(1-methylethyl)benzene25321-09-9 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-Cyclododecatriene676-22-2

Elsewhere

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