chempirical

1-Heptadecyne

C17H32CAS 26186-00-5236.44 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C17H32
Molar mass
236.44 g/mol
Exact mass
236.2504 Da
Melting point
26 °C
Boiling point
171 °C (at 17 Torr)
logP
6.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
13

Identifiers

CAS number
26186-00-5
SMILES
C#CCCCCCCCCCCCCCCC
InChIKey
DQDNKQWGBZFFRA-UHFFFAOYSA-N
InChI
InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h1H,4-17H2,2H3

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Work with 1-Heptadecyne

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-Tridecyne26186-02-7100 % 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

Same formula

(Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook