3,3-Dimethyl-1-butyne

C₆H₁₀CAS 917-92-082.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀
Molar mass: 82.15 g/mol
Exact mass: 82.0783 Da
Density: 0.6683 g/mL (at 20 °C)
Melting point: −78.2 °C
Boiling point: 37.7 °C
logP: 1.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

917-92-0

SMILES

C#CC(C)(C)C

InChIKey

PPWNCLVNXGCGAF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

Weigh it out

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

Names and synonyms

7 names

1-Butyne, 3,3-dimethyl-
3,3,3-Trimethylpropyne
tert-Butylacetylene
3,3-Dimethylbutyne
Neohexyne
tert-Butylethyne
3,3-Dimethylbut-1-yne

Work with 3,3-Dimethyl-1-butyne

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-Chloro-3-methyl-1-butyne1111-97-342 % similar 2-Methylbut-3-yn-2-ol115-19-542 % similar 1,1-Dimethylpropargylamine2978-58-742 % similar Pivalonitrile630-18-233 % similar 3,3,3-Trifluoropropyne661-54-133 % similar 3-Methyl-1-pentyn-3-ol77-75-833 % similar 3-Methyl-1-penten-4-yn-3-ol3230-69-132 % similar 3-Ethyl-1-pentyn-3-ol6285-06-930 % similar

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

Same formula

Cyclohexene110-83-8 3-Methyl-1,4-pentadiene1115-08-8 2-Methyl-1,3-pentadiene1118-58-7 Dimethylbutadiene513-81-5 Trans,trans-2,4-hexadiene5194-51-4 1,5-Hexadiene592-42-7 1,4-Hexadiene592-45-0 2,4-Hexadiene592-46-1

Elsewhere

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