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2,2-Di[4-(diethoxymethyl)benzyl]-1,3-propanediol

HCID 21265725
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(OCC)c1ccc(CC(CO)(CO)Cc2ccc(C(OCC)OCC)cc2)cc1
InChIKey
GPIYTVFDGUTCBM-UHFFFAOYSA-N
Molecular formula
C27H40O6
Average molar mass
460.6 g/mol

Names & identifiers

Preferred name
2,2-Di[4-(diethoxymethyl)benzyl]-1,3-propanediol
IUPAC
2,2-bis[[4-(diethoxymethyl)phenyl]methyl]propane-1,3-diol

Names & synonyms

SCHEMBL6948598GPIYTVFDGUTCBM-UHFFFAOYSA-N2,2-Di[4-(diethoxymethyl)benzyl]-1,3-propanediol

Database identifiers

PubChem CID
21265725

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
77.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
16
Heavy atoms
33
Formal charge
0
Complexity
429

Related reactions

1 records
New reaction record
HRID 566503 reaction equation
HRID 566503As productuspto-grants-2001_01

Compound notes

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