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4-Methoxy-2-(3',4',5'-tris(octadecyloxy)cyclohexylmethyloxy)benzyl alcohol

HCID 53258917
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCOC1CC(COc2cc(OC)ccc2CO)CC(OCCCCCCCCCCCCCCCCCC)C1OCCCCCCCCCCCCCCCCCC
InChIKey
CDWFVLDREAXVCA-UHFFFAOYSA-N
Molecular formula
C69H130O6
Average molar mass
1,055.8 g/mol
Monoisotopic mass
1,054.98674186

Names & identifiers

Preferred name
4-Methoxy-2-(3',4',5'-tris(octadecyloxy)cyclohexylmethyloxy)benzyl alcohol
IUPAC
[4-methoxy-2-[(3,4,5-trioctadecoxycyclohexyl)methoxy]phenyl]methanol

Names & synonyms

SCHEMBL2019737SCHEMBL31193427CDWFVLDREAXVCA-UHFFFAOYSA-N4-methoxy-2-(3',4',5'-tris(octadecyloxy)cyclohexylmethyloxy)benzyl alcohol

Database identifiers

PubChem CID
53258917

Properties

Computed structural propertiesFilling in

XLogP
28
Topological polar surface area
66.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
59
Heavy atoms
75
Formal charge
0
Complexity
1,060

Related reactions

2 records
New reaction record
HRID 537614 reaction equation
HRID 537614As productuspto-grants-2014_10
HRID 1502544 reaction equation
HRID 1502544As productuspto-grants-2015_12

Compound notes

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