chempirical

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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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