3,5-Dimethyl-1-hexyn-3-ol

C₈H₁₄OCAS 107-54-0126.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄O
Molar mass: 126.20 g/mol
Exact mass: 126.1045 Da
Density: 0.859 g/mL (at 12 °C)
Boiling point: 148 °C
logP: 1.42Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

107-54-0

SMILES

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

InChIKey

NECRQCBKTGZNMH-UHFFFAOYSA-N

InChI

InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3

Weigh it out

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

Names and synonyms

7 names

1-Hexyn-3-ol, 3,5-dimethyl-
Surfynol 61
3,5-Dimethylhexyn-3-ol
NSC 978
Surfynol S 61
3,5-Dimethyl-1-hexyne-3-ol
Surfinol 61

Work with 3,5-Dimethyl-1-hexyn-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

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 2,6-Dimethylcyclohexanone2816-57-1

Elsewhere

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