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Methyl 3-[3-(5-acetyloxypentoxy)phenyl]prop-2-enoate

HCID 54568266
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C=Cc1cccc(OCCCCCOC(C)=O)c1
InChIKey
ZVJXEBYSACVAPQ-UHFFFAOYSA-N
Molecular formula
C17H22O5
Average molar mass
306.4 g/mol
Monoisotopic mass
306.1467238

Names & identifiers

Preferred name
Methyl 3-[3-(5-acetyloxypentoxy)phenyl]prop-2-enoate
IUPAC
methyl 3-[3-(5-acetyloxypentoxy)phenyl]prop-2-enoate

Names & synonyms

SCHEMBL9119199

Database identifiers

PubChem CID
54568266

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
22
Formal charge
0
Complexity
364

Related reactions

2 records
New reaction record
HRID 288418 reaction equation
HRID 288418As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1563921 reaction equation
HRID 1563921As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes