3,3-Dimethyl-1-butyne

C₆H₁₀CAS 917-92-082.15 g/mol

Open in Covalent MOL file

Alkyne

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

Hazards

Danger

H224 Extremely flammable liquid and vapor71.9% of notifiers
H225 Highly Flammable liquid and vapor28.1% of notifiers
H315 Causes skin irritation77.2% of notifiers
H319 Causes serious eye irritation75.4% of notifiers
H335 May cause respiratory irritation75.4% of notifiers
H412 Harmful to aquatic life with long lasting effects14% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 3,4-Dimethyl-1-pentyn-3-ol1482-15-133 % 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

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 Hexadiene42296-74-2 3-Methyl-1,3-pentadiene4549-74-0 Dimethylbutadiene513-81-5 Trans,trans-2,4-Hexadiene5194-51-4 1,5-Hexadiene592-42-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook