2-Octyn-1-ol

C8H14OCAS 20739-58-6126.20 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Density
0.8805 g/mL (at 20 °C)
Melting point
−18 °C
Boiling point
95–95.2 °C (at 10 Torr)
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20739-58-6
SMILES
CCCCCC#CCO
InChIKey
TTWYFVOMGMBZCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h9H,2-5,8H2,1H3

Weigh it out

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

Names and synonyms

2 names
  • 2-Octynol
  • NSC 203012

Work with 2-Octyn-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

2-Decyn-1-ol4117-14-095 % similar Non-2-yn-1-ol5921-73-395 % similar 2-Heptyn-1-ol1002-36-486 % similar 6-Dodecyne6975-99-170 % similar Hex-2-yn-1-ol764-60-368 % similar 5-Undecyne2294-72-667 % similar Non-3-yn-1-ol31333-13-867 % similar 3-Decyn-1-ol51721-39-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0 2,6-Dimethylcyclohexanone2816-57-1

Elsewhere

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