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3,5-Didecyloxybenzyl Alcohol

HCID 57776367
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCOc1cc(CO)cc(OCCCCCCCCCC)c1
InChIKey
WAHXJBMCLXPEBH-UHFFFAOYSA-N
Molecular formula
C27H48O3
Average molar mass
420.7 g/mol

Names & identifiers

Preferred name
3,5-Didecyloxybenzyl Alcohol
IUPAC
(3,5-didecoxyphenyl)methanol

Names & synonyms

3,5-didecoxybenzyl Alcohol3,5-Didecyloxybenzyl AlcoholSCHEMBL4526853WAHXJBMCLXPEBH-UHFFFAOYSA-N

Database identifiers

PubChem CID
57776367
Nikkaji
J3.443.800E

Properties

Computed structural properties

XLogP
10
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
21
Heavy atoms
30
Formal charge
0
Complexity
317

Related reactions

3 records
New reaction record
HRID 1544288 reaction equation
HRID 1544288As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2055752 reaction equation
HRID 2055752As productuspto-grants-2008_02
HRID 2055753 reaction equation
HRID 2055753As reactantuspto-grants-2008_02

Compound notes

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