chempirical

3-Undecyne

C11H20CAS 60212-30-8152.28 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C11H20
Molar mass
152.28 g/mol
Exact mass
152.1565 Da
logP
3.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

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
60212-30-8
SMILES
CCCCCCCC#CCC
InChIKey
DPWGJNPCPLQVKQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-5,7,9-11H2,1-2H3

Weigh it out

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

Work with 3-Undecyne

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-Decyne2384-85-2100 % similar 3-Nonyne20184-89-895 % similar Oct-3-yne15232-76-580 % similar 5-Dodecyne19780-12-275 % similar 3,9-Dodecadiyne61827-89-274 % similar 6-Dodecyne6975-99-174 % similar 4-Decyne2384-86-367 % similar 3-Heptyne2586-89-262 % similar

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

Same formula

1-Undecyne2243-98-3 5-Undecyne2294-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook