7-Hexadecyn-1-ol

C16H30OCAS 822-21-9238.41 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C16H30O
Molar mass
238.41 g/mol
Exact mass
238.2297 Da
logP
4.68Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
822-21-9
SMILES
CCCCCCCCC#CCCCCCCO
InChIKey
UFLJPANUONDNPT-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-8,11-16H2,1H3

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Work with 7-Hexadecyn-1-ol

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

3-Decyn-1-ol51721-39-283 % similar Non-3-yn-1-ol31333-13-878 % similar 1-Hexanol111-27-371 % similar 1-Heptanol111-70-671 % similar 1-Octanol111-87-571 % similar 1-Decanol112-30-171 % similar Undecanol112-42-571 % similar Dodecanol112-53-871 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Z)-11-Hexadecenal53939-28-9 (±)-Muscone541-91-3 11-Hexadecyn-1-ol65686-49-9 (Trans,trans)-4'-Propyl[1,1'-bicyclohexyl]-4-methanol82562-85-4 (Trans,trans)-4-Methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-6

Elsewhere

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