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Ethyl 3-tetrahydro-2H-pyran-4-ylpropanoate

HCID 20143676
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)CCC1CCOCC1
InChIKey
PTAPPDZMKVXQMH-UHFFFAOYSA-N
Molecular formula
C10H18O3
Average molar mass
186.25 g/mol
Monoisotopic mass
186.12559443

Names & identifiers

Preferred name
Ethyl 3-tetrahydro-2H-pyran-4-ylpropanoate
IUPAC
ethyl 3-(oxan-4-yl)propanoate

Names & synonyms

ETHYL 3-TETRAHYDRO-2H-PYRAN-4-YLPROPANOATE99197-84-9ETHYL 3-(OXAN-4-YL)PROPANOATESCHEMBL7282596PTAPPDZMKVXQMH-UHFFFAOYSA-NAB72082A1-084063-(Tetrahydro-pyran-4-yl)-propionic acid ethyl esterethyl 3-(3,4,5,6-tetrahydro-2H-pyran-4-yl)propionateethyl 3-(3,4,5,6-tetrahydro-2H-pyran -4-yl)propionate

Database identifiers

PubChem CID
20143676

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
13
Formal charge
0
Complexity
150

Related reactions

5 records
New reaction record
HRID 280987 reaction equation
HRID 280987As productuspto-grants-1986_05
HRID 464894 reaction equation
HRID 464894As productuspto-grants-1985_10
HRID 649406 reaction equation
HRID 649406As productuspto-grants-1988_04
HRID 980616 reaction equation
HRID 980616As productuspto-grants-1987_01
HRID 1548231 reaction equation
HRID 1548231As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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