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Tert-butyl 2-ethyl-4-[3-(2-oxoethoxy)cyclohexyl]butanoate

HCID 21082802
NotesReactions

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Basic information

Standard SMILES
CCC(CCC1CCCC(OCC=O)C1)C(=O)OC(C)(C)C
InChIKey
LKXNSDOYSBQEII-UHFFFAOYSA-N
Molecular formula
C18H32O4
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-ethyl-4-[3-(2-oxoethoxy)cyclohexyl]butanoate
IUPAC
tert-butyl 2-ethyl-4-[3-(2-oxoethoxy)cyclohexyl]butanoate

Names & synonyms

SCHEMBL5573208

Database identifiers

PubChem CID
21082802

Properties

Computed structural propertiesFilling in

XLogP
4
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
22
Formal charge
0
Complexity
345

Related reactions

1 records
New reaction record
HRID 673158 reaction equation
HRID 673158As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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