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1,2-Epoxy-3-(12-cyclohexyldodecyloxy)propane

HCID 14877786
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C(CCCCCCC1CCCCC1)CCCCCOCC1CO1
InChIKey
HZOFKMLAJQRSCI-UHFFFAOYSA-N
Molecular formula
C21H40O2
Average molar mass
324.5 g/mol

Names & identifiers

Preferred name
1,2-Epoxy-3-(12-cyclohexyldodecyloxy)propane
IUPAC
2-(12-cyclohexyldodecoxymethyl)oxirane

Names & synonyms

SCHEMBL9716217HZOFKMLAJQRSCI-UHFFFAOYSA-N1,2-Epoxy-3-(12-cyclohexyldodecyloxy)propane

Database identifiers

PubChem CID
14877786

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
21.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
15
Heavy atoms
23
Formal charge
0
Complexity
261

Related reactions

5 records
New reaction record
HRID 93530 reaction equation
HRID 93530As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 231267 reaction equation
HRID 231267As productuspto-grants-1989_07
HRID 231268 reaction equation
HRID 231268As reactantuspto-grants-1989_07
HRID 478106 reaction equation
HRID 478106As productuspto-grants-1989_12
HRID 2132551 reaction equation
HRID 2132551As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes