1,4-Decadiyne

C₁₀H₁₄CAS 929-53-3134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₄
Molar mass: 134.22 g/mol
Exact mass: 134.1096 Da
logP: 2.59Crippen estimate
Polar surface area: 0.0 Å²
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

929-53-3

SMILES

CCCCCC#CCC#C

InChIKey

PITHRTPWTQFONM-UHFFFAOYSA-N

InChI

InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-6,8,10H2,2H3

Weigh it out

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

Work with 1,4-Decadiyne

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

6-Dodecyne6975-99-164 % similar 1-Heptyne628-71-763 % similar 1,5-Decadiyne53963-03-462 % similar 5-Undecyne2294-72-661 % similar 1-Undecyne2243-98-360 % similar 1-Heptadecyne26186-00-560 % similar 1-Tridecyne26186-02-760 % similar 1-Nonyne3452-09-360 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7

Elsewhere

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