Ethyl tetrahydropyran-4-ylacetate

C9H16O3CAS 103260-44-2172.22 g/mol

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OOO
EsterEther

Properties

Molecular formula
C9H16O3
Molar mass
172.22 g/mol
Exact mass
172.1099 Da
logP
1.37Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
103260-44-2
SMILES
CCOC(=O)CC1CCOCC1
InChIKey
JLMMMEDWRUVCEW-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h8H,2-7H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Ethyl tetrahydropyran-4-yl-acetate

Work with Ethyl tetrahydropyran-4-ylacetate

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 2-(piperidin-4-yl)acetate59184-90-668 % similar Ethyl 2-(4-oxocyclohexyl)acetate58012-34-366 % similar (trans-4-Aminocyclohexyl)acetic acid ethyl ester hydrochloride76308-26-458 % similar Ethyl isovalerate108-64-555 % similar Ethyl 3,3-diethoxypropionate10601-80-653 % similar Diethyl 3-hydroxyglutarate32328-03-353 % similar Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-352 % similar Triethyl 1,1,2-ethanetricarboxylate7459-46-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate110928-44-4 Ethyl α-isopropylacetoacetate1522-46-9 Ethyl pivaloylacetate17094-34-7 Ethyl 4-hydroxycyclohexanecarboxylate17159-80-7 Butyl levulinate2052-15-5 trans-Ethyl 4-hydroxycyclohexanecarboxylate3618-04-0 (Z)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-buten-1-ol57323-06-5 (Z)-3-Hexenyl lactate61931-81-5

Elsewhere

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