chempirical

1-Hexadecyne

C16H30CAS 629-74-3222.42 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C16H30
Molar mass
222.42 g/mol
Exact mass
222.2348 Da
Melting point
15 °C
Boiling point
284 °C
logP
5.71Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
12

Identifiers

CAS number
629-74-3
SMILES
C#CCCCCCCCCCCCCCC
InChIKey
UCIDYSLOTJMRAM-UHFFFAOYSA-N
InChI
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h1H,4-16H2,2H3

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

Work with 1-Hexadecyne

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-Nonyne3452-09-3100 % similar 1-Octyne629-05-0100 % 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