1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate
Basic information
- CAS
73881-19-3- Standard SMILES
CCCCCCCCCCCCCCCc1cccc(OC(C)=O)c1OC(C)=O- InChIKey
WKMKNJONVCLNHA-UHFFFAOYSA-N- Molecular formula
- C25H40O4
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.29265975
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate
- IUPAC
- (2-acetyloxy-3-pentadecylphenyl) acetate
- English name
- 3-pentadecacatechol diacetate
- Molecular formula
- C25H40O4
- Molecular weight
- 404.58
Names & synonyms
3-Pentadecacatechol diacetate73881-19-33-n-Pentadecylcatechol diacetateDTXSID60224467RefChem:906665DTXCID601469581,2-Benzenediol, 3-pentadecyl-, 1,2-diacetate(2-acetyloxy-3-pentadecylphenyl) acetate3-Pentadecyl-1,2-phenylene diacetate1,2-Benzenediol, 3-pentadecyl-, diacetatediacetyl-3-n-pentadecylcatechol
Database identifiers
- CAS
73881-19-3- PubChem CID
- 173231
- DTXSID
DTXSID60224467
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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