Basic information
- Standard SMILES
CC1CCC(C)OC(=O)c2ccc(cc2)C(=O)OC(C)C1- InChIKey
CQSRLBUKSBKPAF-UHFFFAOYSA-N- Molecular formula
- C17H22O4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15180918
Names & identifiers
- Preferred name
- 1,2-Propylene-dipropylene terephthalate
- IUPAC
- 4,6,9-trimethyl-3,10-dioxabicyclo[10.2.2]hexadeca-1(14),12,15-triene-2,11-dione
Names & synonyms
SCHEMBL2885577CQSRLBUKSBKPAF-UHFFFAOYSA-N1,2-propylene-dipropylene terephthalate
Database identifiers
- PubChem CID
- 68428141
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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