12-Chloro-5-dodecyne

C12H21ClCAS 42513-36-0200.75 g/mol

Open in Covalent MOL file
Cl
Alkyl halideAlkyne

Properties

Molecular formula
C12H21Cl
Molar mass
200.75 g/mol
Exact mass
200.1332 Da
Boiling point
92–93 °C (at 0.5 Torr)
logP
4.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

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
42513-36-0
SMILES
CCCCC#CCCCCCCCl
InChIKey
DJJGBABLSKSRGV-UHFFFAOYSA-N
InChI
InChI=1S/C12H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,7-12H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 5-Dodecyne, 12-chloro-

Work with 12-Chloro-5-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

1-Chloro-4-nonyne3416-74-882 % similar 5-Dodecyne19780-12-268 % similar 10-Chloro-3-decyne18295-64-268 % similar 1-Chlorodecane1002-69-364 % similar 1-Chlorooctane111-85-364 % similar 1-Chlorododecane112-52-764 % similar 5-Undecyne2294-72-664 % similar 1-Chlorotetradecane2425-54-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook