3-Methylbut-1-yne
Properties
- Molecular formula
- C5H8
- Molar mass
- 68.12 g/mol
- Exact mass
- 68.0626 Da
- Density
- 0.666 g/mL (at 19 °C)
- Melting point
- −89.7 °C
- Boiling point
- 26.3 °C
- logP
- 1.28Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H224 Extremely flammable liquid and vapor97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
598-23-2SMILES
C#CC(C)CInChIKey
USCSRAJGJYMJFZ-UHFFFAOYSA-NInChI
InChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 3-Methyl-1-butyne
- 1-Butyne, 3-methyl-
- Isopentyne
- Isopropylacetylene
- 2-Methyl-3-butyne
- 3-Methylbutyne
- 3,3-Dimethyl-1-propyne
- 1-Isopentyne
- Isopropylethyne
Work with 3-Methylbut-1-yne
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-Butyn-2-ol2028-63-942 % similar
(S)-(-)-1-Butyn-3-ol2914-69-442 % similar
(+)-1-Butyn-3-ol42969-65-342 % similar
3-Butyn-2-ol65337-13-542 % similar
Penta-1,4-diyn-3-ol56598-53-933 % similar
Cyclopropylacetylene6746-94-733 % similar
Isobutyronitrile78-82-033 % similar
3,3-Diethoxy-1-propyne10160-87-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds