(E)-Methyl 5-(1-(3-(tetrahydro-2H-pyran-2-yloxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)pent-2-enoate

HCID 90409249
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Basic information

Standard SMILES
COC(=O)/C=C/CCC12CCC(c3cccc(OC4CCCCO4)c3)(CC1)OC2
InChIKey
JBOJKXFARXIKGP-XNWCZRBMSA-N
Molecular formula
C24H32O5
Average molar mass
400.5 g/mol

Names & identifiers

Preferred name
(E)-Methyl 5-(1-(3-(tetrahydro-2H-pyran-2-yloxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)pent-2-enoate
IUPAC
methyl (E)-5-[1-[3-(oxan-2-yloxy)phenyl]-2-oxabicyclo[2.2.2]octan-4-yl]pent-2-enoate

Names & synonyms

SCHEMBL16036320JBOJKXFARXIKGP-XNWCZRBMSA-N(E)-Methyl 5-(1-(3-(tetrahydro-2H-pyran-2-yloxy)phenyl)-2-oxabicyclo[2.2.2]octan-4-yl)pent-2-enoate

Database identifiers

PubChem CID
90409249

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
54 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29

Related reactions

2 records
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Compound notes

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