Basic information
- CAS
3600-95-1- Standard SMILES
CC(C)=CCC[C@@H](C)C1=C(O)C(=O)C(C)=CC1=O- InChIKey
JZXORCGMYQZBBQ-SNVBAGLBSA-N- Molecular formula
- C15H20O3
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.1412445
Overview
perezone has been reported in Coreopsis senaria, Acourtia nana, and other organisms with data available.
Names & identifiers
- Preferred name
- Perezone
- IUPAC
- 3-hydroxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
- English name
- 2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-m ethyl-, (R)-
- Molecular formula
- C15H20O3
- Molecular weight
- 248.32
Names & synonyms
Perezone3600-95-1L7YL69207ZDTXSID508778653-hydroxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione3-hydroxy-5-methyl-2-((2R)-6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dioneRefChem:171627DTXCID401015931(R)(2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-1,4-benzoquinone)2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-, (R)-UNII-L7YL69207ZPEREZONE [MI]
Show more names
Pipitzahoic acid(-)-2-[(R)-1,5-Dimethyl-4-hexenyl]-3-hydroxy-5-methyl-1,4-benzoquinone(+)-2-[(S)-1,5-Dimethyl-4-hexenyl]-3-hydroxy-5-methyl-1,4-benzoquinone(-)-2-[(R)-1,5-Dimethyl-4-hexenyl]-3-hydroxy-5-methyl-2,5-cyclohexadiene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-m ethyl-, (R)-
orb3024135SCHEMBL3609795CHEMBL2071234JZXORCGMYQZBBQ-SNVBAGLBSA-NTN10786Q272828182-(1,5-Dimethyl-4-hexenyl)-3-hydroxy-5-methylbenzo-1,4-quinone #p-Benzoquinone, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Melting point
- 103 · 103-104°
- alpha
- 20 · D20 -17° (ether)
- Boiling point
- 359.284 · 359.284±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.264 · 3.264±0.50(predicted)
- FDA UNII
- 7 YL69207Z · L7YL69207Z
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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