Basic information
- CAS
3819-09-8- Standard SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(O)c(C)c(C)c1O- InChIKey
IJBLJLREWPLEPB-IQSNHBBHSA-N- Molecular formula
- C53H82O2
- Average molar mass
- 751.2 g/mol
- Monoisotopic mass
- 750.63148185
Overview
Plastoquinol-9 is a plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone.
Names & identifiers
- Preferred name
- Plastoquinol-9
- IUPAC
- 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
- English name
- plastoquinol
- Molecular formula
- C53H82O2
- Molecular weight
- 751.22
Names & synonyms
Plastoquinol-9Plastoquinol ACHEBI:280262,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol(all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-1,4-benzenediol2,3-dimethyl-5-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)benzene-1,4-diolRefChem:174756Plastohydroquinone3819-09-82,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol148467-11-2SCHEMBL30508969
Show more names
plastoquinol1,4-Benzenediol, 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-yl]-
DTXSID301344630Q27103458
Properties
Computed structural properties
- XLogP
- 18.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,360
Physicochemical properties
- Boiling point
- 797 · 797.0±48.0 °C(Predicted)
- Density
- 0.936 · 0.936±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.28(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Additional notes
DefinitionChEBI: A plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…