Propyl 3-oxo-2-pentylcyclopentaneacetate

C₁₅H₂₆O₃CAS 158474-72-7254.37 g/mol

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Properties

Molecular formula: C₁₅H₂₆O₃
Molar mass: 254.37 g/mol
Exact mass: 254.1882 Da
logP: 3.51Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

158474-72-7

SMILES

CCCCCC1C(=O)CCC1CC(=O)OCCC

InChIKey

IPDFPNNPBMREIF-UHFFFAOYSA-N

InChI

InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3

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Names and synonyms

2 names

Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester
Propyl 2-(3-oxo-2-pentylcyclopentyl)acetate

Work with Propyl 3-oxo-2-pentylcyclopentaneacetate

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

Methyl dihydrojasmonate24851-98-773 % similar Propyl hexanoate626-77-751 % similar Propyl heptanoate7778-87-250 % similar Dipropyl adipate106-19-446 % similar Dipropyl sebacate15419-91-745 % similar Dipropyl succinate925-15-545 % similar Isodecyl pelargonate109-32-045 % similar Isooctyl palmitate1341-38-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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