methyl 4-(2-tert-butoxy-2-oxoethyl)tetrahydro-2H-pyran-4-carboxylate

HCID 21985691
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Basic information

Standard SMILES
COC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1
InChIKey
IZMGUZMTPSPEBA-UHFFFAOYSA-N
Molecular formula
C13H22O5
Average molar mass
258.31 g/mol

Names & identifiers

Preferred name
methyl 4-(2-tert-butoxy-2-oxoethyl)tetrahydro-2H-pyran-4-carboxylate
IUPAC
methyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxane-4-carboxylate

Names & synonyms

SCHEMBL1747984IZMGUZMTPSPEBA-UHFFFAOYSA-Nmethyl 4-(2-tert-butoxy-2-oxoethyl)tetrahydro-2H-pyran-4-carboxylate

Database identifiers

PubChem CID
21985691

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18

Related reactions

10 records
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Linked notes

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