chempirical

Corey pg-lactone diol

C15H24O4CAS 39182-59-7268.35 g/mol

Open in Covalent MOL file
OOHOHO
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C15H24O4
Molar mass
268.35 g/mol
Exact mass
268.1675 Da
logP
1.80Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
39182-59-7
SMILES
CCCCCC(/C=C/C1C(CC2C1CC(=O)O2)O)O
InChIKey
UMDQPEMZJHAFNL-VOTSOKGWSA-N
InChI
InChI=1S/C15H24O4/c1-2-3-4-5-10(16)6-7-11-12-8-15(18)19-14(12)9-13(11)17/h6-7,10-14,16-17H,2-5,8-9H2,1H3/b7-6+

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Work with Corey pg-lactone diol

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook