[1-(5,8-Dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate
Basic information
- CAS
36883-11-1- Standard SMILES
CC(C)=CC(=O)OC(CCC(C)(C)O)C1=CC(=O)c2c(O)ccc(O)c2C1=O- InChIKey
XZDWDACMRHBQDH-UHFFFAOYSA-N- Molecular formula
- C21H24O7
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.1522031
Names & identifiers
- Preferred name
- [1-(5,8-Dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate
- IUPAC
- [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate
- English name
- 3-Methyl-2-butenoic acid 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpentyl ester
- Molecular weight
- 0
Names & synonyms
36883-11-1ARNEBIN-2NSC291847[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoateDTXSID30315078NSC-2918471-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-hydroxy-4-methylpentyl 3-methylbut-2-enoateArnebin II3-Methyl-2-butenoic acid 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpentyl ester
Database identifiers
- CAS
36883-11-1- PubChem CID
- 324876
- DTXSID
DTXSID30315078- Nikkaji
- J1.354.871D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
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Related reactions
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Compound notes
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