chempirical

1-Nonyne

C9H16CAS 3452-09-3124.23 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C9H16
Molar mass
124.23 g/mol
Exact mass
124.1252 Da
Density
0.7924 g/mL (at 13 °C)
Melting point
−50 °C
Boiling point
150.8 °C
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
3452-09-3
SMILES
C#CCCCCCCC
InChIKey
OSSQSXOTMIGBCF-UHFFFAOYSA-N
InChI
InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3

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

Names and synonyms

2 names
  • Heptylacetylene
  • n-Heptylacetylene

Work with 1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Undecyne2243-98-3100 % similar 1-Heptadecyne26186-00-5100 % similar 1-Tridecyne26186-02-7100 % similar 1-Octyne629-05-0100 % similar 1-Hexadecyne629-74-3100 % similar 1-Octadecyne629-89-0100 % similar 1-Decyne764-93-2100 % similar 1-Dodecyne765-03-7100 % similar

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

Same formula

Allylcyclohexane2114-42-3 1,8-Nonadiene4900-30-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook