chempirical

1-Tridecyne

C13H24CAS 26186-02-7180.33 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C13H24
Molar mass
180.33 g/mol
Exact mass
180.1878 Da
Melting point
2.5 °C
Boiling point
130 °C (at 30 Torr)
logP
4.54Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
9

Identifiers

CAS number
26186-02-7
SMILES
C#CCCCCCCCCCCC
InChIKey
GZEDKDBFUBPZNG-UHFFFAOYSA-N
InChI
InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3

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

Names and synonyms

1 names
  • 1-Tridecylene

Work with 1-Tridecyne

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

1-Undecyne2243-98-3100 % similar 1-Heptadecyne26186-00-5100 % similar 1-Nonyne3452-09-3100 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook