2-Pentyne
Properties
- Molecular formula
- C5H8
- Molar mass
- 68.12 g/mol
- Exact mass
- 68.0626 Da
- Density
- 0.7115 g/mL (at 20 °C)
- Melting point
- −109.3 °C
- Boiling point
- 56.1 °C
- logP
- 1.42Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
627-21-4SMILES
CC#CCCInChIKey
NKTDTMONXHODTI-UHFFFAOYSA-NInChI
InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1-Ethyl-2-methylacetylene
- Ethylmethylacetylene
- Methyl ethyl acetylene
Work with 2-Pentyne
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-Hexyne928-49-457 % similar
2-Hexyne764-35-256 % similar
2-Heptyne1119-65-950 % similar
2-Octyne2809-67-848 % similar
3-Pentyn-1-ol10229-10-445 % similar
1-Bromo-2-butyne3355-28-042 % similar
2-Butyn-1-ol764-01-242 % similar
1-Bromo-2-pentyne16400-32-140 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds