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5-(1-Acetoxy-5-methoxypentyl)-2-norbornene

HCID 22679042
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCCCCC(OC(C)=O)C1CC2C=CC1C2
InChIKey
JRMYGRUTUNIGSZ-UHFFFAOYSA-N
Molecular formula
C15H24O3
Average molar mass
252.35 g/mol

Names & identifiers

Preferred name
5-(1-Acetoxy-5-methoxypentyl)-2-norbornene
IUPAC
[1-(2-bicyclo[2.2.1]hept-5-enyl)-5-methoxypentyl] acetate

Names & synonyms

SCHEMBL6836683JRMYGRUTUNIGSZ-UHFFFAOYSA-N5-(1-acetoxy-5-methoxypentyl)-2-norbornene

Database identifiers

PubChem CID
22679042

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
18
Formal charge
0
Complexity
311

Related reactions

3 records
New reaction record
HRID 115300 reaction equation
HRID 115300As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1168617 reaction equation
HRID 1168617As productuspto-grants-2003_09
HRID 1837797 reaction equation
HRID 1837797As productuspto-grants-2004_08

Compound notes

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