chempirical

4-Nonyne

C9H16CAS 20184-91-2124.23 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C9H16
Molar mass
124.23 g/mol
Exact mass
124.1252 Da
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

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
20184-91-2
SMILES
CCCCC#CCCC
InChIKey
RAYTXPDVKZFUEI-UHFFFAOYSA-N
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3

Weigh it out

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

Work with 4-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

5-Decyne1942-46-787 % similar 4-Decyne2384-86-382 % similar 5-Undecyne2294-72-676 % similar 4-Octyne1942-45-673 % similar 5-Dodecyne19780-12-272 % similar 6-Dodecyne6975-99-171 % similar Oct-3-yne15232-76-568 % similar 2-Heptyn-1-ol1002-36-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Nonyne19447-29-1 3-Nonyne20184-89-8 Allylcyclohexane2114-42-3 1-Nonyne3452-09-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook