1,8-Nonadiyne

C₉H₁₂CAS 2396-65-8120.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂
Molar mass: 120.19 g/mol
Exact mass: 120.0939 Da
Density: 0.8158 g/mL (at 20 °C)
Melting point: −27.3 °C
Boiling point: 162 °C
logP: 2.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

2396-65-8

SMILES

C#CCCCCCC#C

InChIKey

DMOVPHYFYSASTC-UHFFFAOYSA-N

InChI

InChI=1S/C9H12/c1-3-5-7-9-8-6-4-2/h1-2H,5-9H2

Weigh it out

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

Names and synonyms

1 names

NSC 35136

Work with 1,8-Nonadiyne

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,9-Decadiyne1720-38-3100 % similar 1,7-Octadiyne871-84-192 % similar 1,6-Heptadiyne2396-63-677 % similar 1-Undecyne2243-98-367 % similar 1-Heptadecyne26186-00-567 % similar 1-Tridecyne26186-02-767 % similar 10-Undecyn-1-ol2774-84-767 % similar 1-Nonyne3452-09-367 % similar

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

Same formula

n-Propylbenzene103-65-1 Mesitylene108-67-8 Ethylidene norbornene16219-75-3 Vinyl norbornene3048-64-4 1,2,3-Trimethylbenzene526-73-8 1-Ethyl-2-methylbenzene611-14-3 1-Ethyl-3-methylbenzene620-14-4 4-Ethyltoluene622-96-8

Elsewhere

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