3,6-Dimethyl-4-octyne-3,6-diol
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- Melting point
- 54 °C
- Boiling point
- 215–220 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
78-66-0SMILES
CCC(C)(O)C#CC(C)(O)CCInChIKey
NUYADIDKTLPDGG-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c1-5-9(3,11)7-8-10(4,12)6-2/h11-12H,5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4-Octyne-3,6-diol, 3,6-dimethyl-
- Surfynol 82
- 2,5-Diethyl-3-hexyne-2,5-diol
- Surfynol 85
- 3,6-Dihydroxy-3,6-dimethyl-4-octyne
- NSC 1025
- NSC 406738
- Tuyile FS 82
Work with 3,6-Dimethyl-4-octyne-3,6-diol
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
3-Methyl-1-pentyn-3-ol77-75-861 % similar
4,7-Dimethyl-5-decyn-4,7-diol126-87-457 % similar
2,4,7,9-Tetramethyl-5-decyne-4,7-diol126-86-348 % similar
tert-Amyl alcohol75-85-441 % similar
3-Methyl-3-pentanol77-74-741 % similar
3-Ethyl-1-pentyn-3-ol6285-06-935 % similar
(±)-2-Hydroxy-2-methylbutyric acid3739-30-834 % similar
3,5-Dimethyl-1-hexyn-3-ol107-54-033 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds