chempirical

4-Ethyl-1-octyn-3-ol

C10H18OCAS 5877-42-9154.25 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.873 g/mL (at 20 °C)
Boiling point
91 °C (at 10 Torr)
logP
2.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
5877-42-9
SMILES
C#CC(O)C(CC)CCCC
InChIKey
CUUQUEAUUPYEKK-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Octyn-3-ol, 4-ethyl-
  • 4-Ethyl-3-hydroxy-1-octyne
  • Ethyloctynol
  • NSC 62119

Work with 4-Ethyl-1-octyn-3-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

1-Heptyn-3-ol7383-19-953 % similar 1-Octyn-3-ol818-72-447 % similar 3-Heptanol589-82-244 % similar 1-Hexyn-3-ol105-31-742 % similar 1-Pentyn-3-ol4187-86-441 % similar 3-Methylheptane589-81-141 % similar 3-Octanol20296-29-138 % similar 3-Octanol589-98-038 % similar

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

Same formula

P-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citronellal106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook