2,5-Bis(hexyloxy)terephthalic acid

HCID 639929
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Basic information

Standard SMILES
CCCCCCOc1cc(C(=O)O)c(OCCCCCC)cc1C(=O)O
InChIKey
TYTRTFQDGNHZTJ-UHFFFAOYSA-N
Molecular formula
C20H30O6
Average molar mass
366.4 g/mol

Names & identifiers

Preferred name
2,5-Bis(hexyloxy)terephthalic acid
IUPAC
2,5-dihexoxyterephthalic acid

Names & synonyms

2,5-bis(hexyloxy)terephthalic acid2,5-Bis(hexyloxy)terephthalicacid132720-81-12,5-dihexoxyterephthalic acid1,4-benzenedicarboxylic acid, 2,5-bis(hexyloxy)-SCHEMBL668981TYTRTFQDGNHZTJ-UHFFFAOYSA-NCS-0170470InChI=1/C20H30O6/c1-3-5-7-9-11-25-17-13-16(20(23)24)18(14-15(17)19(21)22)26-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3,(H,21,22)(H,23,24

Database identifiers

PubChem CID
639929
Nikkaji
J759.951J

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
93.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
14
Heavy atoms
26

Related reactions

1 records
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Compound notes

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