Delta-valerolactone
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 1.113 g/mL (at 20 °C)
- Melting point
- −12.5 °C
- Boiling point
- 219 °C
- logP
- 0.71Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
542-28-9SMILES
O=C1CCCCO1InChIKey
OZJPLYNZGCXSJM-UHFFFAOYSA-NInChI
InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 2H-Pyran-2-one, tetrahydro-
- Valeric acid, 5-hydroxy-, δ-lactone
- Tetrahydro-2H-pyran-2-one
- δ-Valerolactone
- Pentanoic acid, 5-hydroxy-, δ-lactone
- Tetrahydro-2-pyranone
- 5-Valerolactone
- 5-Hydroxypentanoic acid δ-lactone
- δ-Valeryllactone
- 1-Oxacyclohexan-2-one
- 2-Oxotetrahydropyran
- 5-Hydroxypentanoic acid lactone
- NSC 6247
- Pentan-5-olide
- Oxan-2-one
Work with Delta-valerolactone
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
Pentadecalactone106-02-594 % similar
Hexadecanolide109-29-594 % similar
Polycaprolactone24980-41-494 % similar
Caprolactone502-44-394 % similar
Gamma-butyrolactone96-48-083 % similar
1,7-Dioxacycloheptadecan-8-one3391-83-181 % similar
1,6-Dioxacycloheptadecan-7-one6707-60-481 % similar
Ethylene brassylate105-95-379 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds