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2-Octadecyloxynaphthalene

HCID 14201680
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
116834-04-9
Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccc2ccccc2c1
InChIKey
CUYIFJPIAHKION-UHFFFAOYSA-N
Molecular formula
C28H44O
Average molar mass
396.6 g/mol
Monoisotopic mass
396.33921602

Names & identifiers

Preferred name
2-Octadecyloxynaphthalene
IUPAC
2-octadecoxynaphthalene

Names & synonyms

116834-04-92-octadecyloxynaphthalene2-naphthyl-octadecyl-etherSCHEMBL8746015DTXSID40557321CUYIFJPIAHKION-UHFFFAOYSA-N2-(OCTADECYLOXY)NAPHTHALENE

Database identifiers

CAS
116834-04-9
PubChem CID
14201680
DTXSID
DTXSID40557321

Properties

Computed structural properties

XLogP
12.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
18
Heavy atoms
29
Formal charge
0
Complexity
352

Related reactions

5 records
New reaction record
HRID 1142509 reaction equation
HRID 1142509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1463771 reaction equation
HRID 1463771As productuspto-grants-1994_04
HRID 1463772 reaction equation
HRID 1463772As reactantuspto-grants-1994_04
HRID 1586652 reaction equation
HRID 1586652As productuspto-grants-1993_06
HRID 1613565 reaction equation
HRID 1613565As productuspto-grants-1993_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes