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2-Hydroxymethyl-3-(5-carboethoxypentyloxy)-4-pyrone

HCID 23344855
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCCCCOc1c(CO)occc1=O
InChIKey
RQERSBOLCJWTNC-UHFFFAOYSA-N
Molecular formula
C14H20O6
Average molar mass
284.3 g/mol

Names & identifiers

Preferred name
2-Hydroxymethyl-3-(5-carboethoxypentyloxy)-4-pyrone
IUPAC
ethyl 6-[2-(hydroxymethyl)-4-oxopyran-3-yl]oxyhexanoate

Names & synonyms

SCHEMBL11469985RQERSBOLCJWTNC-UHFFFAOYSA-N2-hydroxymethyl-3-(-5-carboethoxypentyloxy)-4-pyrone2-hydroxymethyl-3-(5-carboethoxypentyloxy)-4-pyrone

Database identifiers

PubChem CID
23344855

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
82.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
20
Formal charge
0
Complexity
396

Related reactions

6 records
New reaction record
HRID 697410 reaction equation
HRID 697410As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 699574 reaction equation
HRID 699574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1856394 reaction equation
HRID 1856394As productuspto-grants-1980_08
HRID 1856395 reaction equation
HRID 1856395As reactantuspto-grants-1980_08
HRID 2163261 reaction equation
HRID 2163261As productuspto-grants-1979_01
HRID 2163262 reaction equation
HRID 2163262As reactantuspto-grants-1979_01

Compound notes

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