8-Phenyloctyloxymethyloxirane

HCID 21474710

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(CCCCCCCCOCC2CO2)cc1
InChIKey: CMPCNAUDPZVHTJ-UHFFFAOYSA-N
Molecular formula: C17H26O2
Average molar mass: 262.4 g/mol

Names & identifiers

Preferred name: 8-Phenyloctyloxymethyloxirane
IUPAC: 2-(8-phenyloctoxymethyl)oxirane

Names & synonyms

8-phenyloctyloxymethyloxiraneSCHEMBL8071982SCHEMBL8857178CMPCNAUDPZVHTJ-UHFFFAOYSA-N

Database identifiers

PubChem CID: 21474710

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 21.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 19
Formal charge: 0
Complexity: 211

Related reactions

6 records

New reaction record

HRID 160820 reaction equation

HRID 160820As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 960181 reaction equation

HRID 960181As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1901717 reaction equation

HRID 1901717As productuspto-grants-1996_11

HRID 1901718 reaction equation

HRID 1901718As reactantuspto-grants-1996_11

HRID 2294331 reaction equation

HRID 2294331As productuspto-grants-1997_11

HRID 2294332 reaction equation

HRID 2294332As reactantuspto-grants-1997_11

Compound notes

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8-Phenyloctyloxymethyloxirane (HCID 21474710)｜Huagongshe