Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate

C₁₁H₁₈O₄CAS 1489-97-0214.26 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₁H₁₈O₄
Molar mass: 214.26 g/mol
Exact mass: 214.1205 Da
logP: 1.48Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1489-97-0

SMILES

CCOC(=O)C1CCC2(CC1)OCCO2

InChIKey

UXXWGBLTOSRBAY-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O4/c1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11/h9H,2-8H2,1H3

Weigh it out

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Names and synonyms

1 names

Ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate

Work with Ethyl 1,4-dioxaspiro(4.5)decane-8-carboxylate

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

Ethyl cyclobutanecarboxylate14924-53-965 % similar Ethyl cyclopropanecarboxylate4606-07-963 % similar Ethyl-4,4-difluorocyclohexane carboxylate178312-47-563 % similar Ethyl cyclohexanecarboxylate3289-28-963 % similar Ethyl tetrahydropyran-4-carboxylate96835-17-561 % similar Ethyl isonipecotate1126-09-654 % similar Ethyl 4-oxocyclohexanecarboxylate17159-79-454 % similar trans-4-Aminocyclohexane carboxylic acid ethyl ester1678-68-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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