2,5-Hexanediol dibenzoate

HCID 5259446
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIKey
RXGRLUHNJVKKIT-UHFFFAOYSA-N
Molecular formula
C20H22O4
Average molar mass
326.4 g/mol

Names & identifiers

Preferred name
2,5-Hexanediol dibenzoate
IUPAC
5-benzoyloxyhexan-2-yl benzoate

Names & synonyms

2,5-hexanediol dibenzoateSCHEMBL1784136RXGRLUHNJVKKIT-UHFFFAOYSA-N

Database identifiers

PubChem CID
5259446

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
24

Related reactions

1 records
New reaction record

Linked notes

Loading…