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2-(2-Hexadecyl-2,5,7,8-tetramethyl-chroman-6-yloxy)-ethanol

HCID 59347262
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCC1(C)CCc2c(C)c(OCCO)c(C)c(C)c2O1
InChIKey
ZBDOKFQFZILUEC-UHFFFAOYSA-N
Molecular formula
C31H54O3
Average molar mass
474.8 g/mol

Names & identifiers

Preferred name
2-(2-Hexadecyl-2,5,7,8-tetramethyl-chroman-6-yloxy)-ethanol
IUPAC
2-[(2-hexadecyl-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl)oxy]ethanol

Names & synonyms

SCHEMBL3424648ZBDOKFQFZILUEC-UHFFFAOYSA-N2-(2-Hexadecyl-2,5,7,8-tetramethyl-chroman-6-yloxy)-ethanol

Database identifiers

PubChem CID
59347262

Properties

Computed structural properties

XLogP
11.2
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
34
Formal charge
0
Complexity
509

Related reactions

5 records
New reaction record
HRID 20897 reaction equation
HRID 20897As reactantuspto-grants-2010_06
HRID 124153 reaction equation
HRID 124153As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1055777 reaction equation
HRID 1055777As reactantuspto-grants-2016_07
HRID 1893020 reaction equation
HRID 1893020As reactantuspto-grants-2013_08
HRID 2402996 reaction equation
HRID 2402996As reactantuspto-grants-2014_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes