5-Dodecylbenzene-1,3-diol
Basic information
- CAS
72707-60-9- Standard SMILES
CCCCCCCCCCCCc1cc(O)cc(O)c1- InChIKey
VXCBVCVQEPHVDJ-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Names & identifiers
- Preferred name
- 5-Dodecylbenzene-1,3-diol
- IUPAC
- 5-dodecylbenzene-1,3-diol
- English name
- 5-dodecylbenzene-1,3-diol
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
5-DODECYLBENZENE-1,3-DIOL72707-60-9DTXSID80591148RefChem:302799DTXCID905419125-Dodecyl-1,3-benzenediol1,3-Benzenediol, 5-dodecyl-SCHEMBL4444098CHEMBL6078449Z3676537985-Dodecyl-3-hydroxy-phenol
Database identifiers
- CAS
72707-60-9- PubChem CID
- 17826784
- DTXSID
DTXSID80591148- ChEMBL
CHEMBL6078449- Nikkaji
- J1.942.800A
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 81 °C · 81 °C
- Boiling point
- 412.7 · 412.7±15.0 °C(Predicted)
- Density
- 0.979 · 0.979±0.06 g/cm3(Predicted)
- pka
- 9.55 · 9.55±0.10(Predicted)
Chemistry & industry
Applications
Uses5-Dodecyl-1,3-benzenediol and other benzenediols has been used to study the hydrogen bonding and Ph stacking in sulfonic acid-doped polyanilines in relation to plasticization and supramol.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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