chempirical

7-Octyn-1-ol

C8H14OCAS 871-91-0126.20 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
5

Identifiers

CAS number
871-91-0
SMILES
C#CCCCCCCO
InChIKey
ATCNYMVVGBLQMQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2

Weigh it out

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

Names and synonyms

3 names
  • 8-Hydroxy-1-octyne
  • Oct-7-yne-1-ol
  • Oct-7-yn-1-ol

Work with 7-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

10-Undecyn-1-ol2774-84-7100 % similar 5-Hexyn-1-ol928-90-594 % similar 1,9-Decadiyne1720-38-367 % similar 1,8-Nonadiyne2396-65-867 % similar 1,7-Octadiyne871-84-161 % similar 3-Butyn-1-ol927-74-260 % similar 1,6-Heptadiyne2396-63-653 % similar 1,5-Pentanediol111-29-550 % 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 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 (E)-2-Octenal2548-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook