2,7-Dimethyl-3,5-octadiyne-2,7-diol

C₁₀H₁₄O₂CAS 5929-72-6166.22 g/mol

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Properties

Molecular formula: C₁₀H₁₄O₂
Molar mass: 166.22 g/mol
Exact mass: 166.0994 Da
Density: 0.9001 g/mL (at 20 °C)
Melting point: 129 °C
Boiling point: 91–92 °C (at 6 Torr)
logP: 0.54Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

5929-72-6

SMILES

CC(C)(O)C#CC#CC(C)(C)O

InChIKey

CKVWIEREOYIKNC-UHFFFAOYSA-N

InChI

InChI=1S/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3

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Names and synonyms

4 names

3,5-Octadiyne-2,7-diol, 2,7-dimethyl-
1,1,6,6-Tetramethyl-2,4-hexadiyne-1,6-diol
2,7-Dimethyl-3,5-octadiyn-2,7-diol
NSC 14256

Work with 2,7-Dimethyl-3,5-octadiyne-2,7-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-3-hexyne-2,5-diol142-30-373 % similar 2-Methylbut-3-yn-2-ol115-19-545 % similar Acetone cyanohydrin75-86-545 % similar 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-633 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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