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3-Dodecyloxy-2-decyloxy-1-propanol

HCID 15077844
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCCCCCCCCCOCC(CO)OCCCCCCCCCC
InChIKey
JQRFOZBUHUVNBK-UHFFFAOYSA-N
Molecular formula
C25H52O3
Average molar mass
400.7 g/mol

Names & identifiers

Preferred name
3-Dodecyloxy-2-decyloxy-1-propanol
IUPAC
2-decoxy-3-dodecoxypropan-1-ol

Names & synonyms

SCHEMBL496863JQRFOZBUHUVNBK-UHFFFAOYSA-N3-dodecyloxy-2-decyloxy-1-propanol

Database identifiers

PubChem CID
15077844

Properties

Computed structural properties

XLogP
9.4
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
24
Heavy atoms
28
Formal charge
0
Complexity
271

Related reactions

3 records
New reaction record
HRID 102145 reaction equation
HRID 102145As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 378227 reaction equation
HRID 378227As productuspto-grants-2000_02
HRID 964528 reaction equation
HRID 964528As productuspto-grants-1998_06

Compound notes

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