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2,2-Dimethyl-4-[(4-tetradecylphenoxy)methyl]-1,3-dioxolane

HCID 20219087
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Basic information

Standard SMILES
CCCCCCCCCCCCCCc1ccc(OCC2COC(C)(C)O2)cc1
InChIKey
ZTYNAUGQVHPVFJ-UHFFFAOYSA-N
Molecular formula
C26H44O3
Average molar mass
404.6 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl-4-[(4-tetradecylphenoxy)methyl]-1,3-dioxolane
IUPAC
2,2-dimethyl-4-[(4-tetradecylphenoxy)methyl]-1,3-dioxolane

Names & synonyms

SCHEMBL10811144ZTYNAUGQVHPVFJ-UHFFFAOYSA-N2,2-Dimethyl-4-[(4-tetradecylphenoxy)methyl]-1,3-dioxolane

Database identifiers

PubChem CID
20219087

Properties

Computed structural properties

XLogP
9.4
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
16
Heavy atoms
29
Formal charge
0
Complexity
387

Related reactions

2 records
New reaction record
HRID 235716 reaction equation
HRID 235716As productuspto-grants-1987_02
HRID 2314666 reaction equation
HRID 2314666As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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