Basic information
- CAS
2867-65-4- Standard SMILES
CC(CCOC(=O)c1ccccc1)OC(=O)c1ccccc1- InChIKey
HVWZDMVPWXVEBP-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 1,3-Butylene glycol dibenzoate
- IUPAC
- 3-benzoyloxybutyl benzoate
Names & synonyms
1,3-Butylene glycol dibenzoate1,3-Butanediol, dibenzoateNSC-1418252867-65-41,3-Butanediol, 1,3-dibenzoate04K15F123FUNII-04K15F123FRefChem:196767HVWZDMVPWXVEBP-UHFFFAOYSA-N1,3-Butanediol,1,3-dibenzoateNSC1418251,3-butanediol-dibenzoate
Show more names
SCHEMBL227465DTXSID501376809DS-008315Q27247654
Database identifiers
- CAS
2867-65-4- PubChem CID
- 285100
- DTXSID
DTXSID501376809- UNII
- 04K15F123F
- Nikkaji
- J3.808.909I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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