chempirical

2-Nonyne

C9H16CAS 19447-29-1124.23 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
4

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
19447-29-1
SMILES
CCCCCCC#CC
InChIKey
LXKRETAGISZJAD-UHFFFAOYSA-N
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3,5,7-9H2,1-2H3

Weigh it out

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

Work with 2-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

2-Decyne2384-70-5100 % similar 2-Octyne2809-67-895 % similar 2-Heptyne1119-65-980 % similar 5-Dodecyne19780-12-267 % similar 6-Dodecyne6975-99-165 % similar 5-Undecyne2294-72-662 % similar 2-Hexyne764-35-262 % similar 4-Decyne2384-86-359 % similar

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

Same formula

3-Nonyne20184-89-8 4-Nonyne20184-91-2 Allylcyclohexane2114-42-3 1-Nonyne3452-09-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook