β-Methyl-δ-valerolactone

C₆H₁₀O₂CAS 1121-84-2114.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
Density: 1.044 g/mL (at 25 °C)
Boiling point: 90 °C (at 12 Torr)
logP: 0.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1121-84-2

SMILES

CC1CCOC(=O)C1

InChIKey

YHTLGFCVBKENTE-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

10 names

2H-Pyran-2-one, tetrahydro-4-methyl-
Valeric acid, 5-hydroxy-3-methyl-, lactone
Valeric acid, 5-hydroxy-3-methyl-, δ-lactone
Tetrahydro-4-methyl-2H-pyran-2-one
(±)-3-Methylvalerolactone
NSC 32358
4-Methyltetrahydropyran-2-one
3-Methyl-δ-valerolactone
4-Methyltetrahydro-2H-pyran-2-one
(RS)-tetrahydro-4-methylpyran-2-one

Work with β-Methyl-δ-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isoamyl isovalerate659-70-161 % similar (3R)-3-Hydroxybutyl (3R)-3-hydroxybutanoate1208313-97-655 % similar Dihydro-4-methyl-2H-pyran-2,6(3H)-dione4166-53-454 % similar Ethyl 3-methylpentanoate5870-68-852 % similar Isoamyl propionate105-68-048 % similar Citronellyl propionate141-14-047 % similar Isoamyl butyrate106-27-445 % similar Butyl isovalerate109-19-345 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 2-Hexenoic acid1191-04-4 2-Methyl-tetrahydropyran-4-one1193-20-0

Elsewhere

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