Mansonone C
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Basic information
- CAS
5574-34-5- Standard SMILES
CC1=Cc2c(C(C)C)ccc(C)c2C(=O)C1=O- InChIKey
GREWJSSEUGRGIT-UHFFFAOYSA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Overview
Mansonone C is a member of 1,2-naphthoquinones and a sesquiterpenoid.
Names & identifiers
- Preferred name
- Mansonone C
- IUPAC
- 3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione
- English name
- 3,8-Dimethyl-5-isopropyl-1,2-naphthoquinone
- Molecular formula
- C15H16O2
- Molecular weight
- 228.29
Names & synonyms
Mansonone C5574-34-53,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione5-isopropyl-3,8-dimethyl-naphthalene-1,2-dioneRefChem:1557071,2-Naphthalenedione, 3,8-dimethyl-5-(1-methylethyl)-CHEMBL508283AC1L2IZMMansonone O3,8-DIMETHYL-5-ISOPROPYL-1,2-NAPHTHOQUINONE1,2-Naphthoquinone, 5-isopropyl-3,8-dimethyl-3,8-Dimethyl-5-isopropyl-1,2-naphthalenedione
Show more names
Cadalene 7,8-quinone
SureCN9863621CHEBI:6689SCHEMBL9863621SCHEMBL35771808DTXSID80204286GREWJSSEUGRGIT-UHFFFAOYSA-N5-Isopropyl-3,8-dimethyl-1,2-naphthalenedione #3,8-dimethyl-5-(propan-2-yl)naphthalene-1,2-dione
Database identifiers
- CAS
5574-34-5- PubChem CID
- 21742
- DTXSID
DTXSID80204286- ChEMBL
CHEMBL508283- ChEBI
CHEBI:6689- Nikkaji
- J13.432E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- LogP
- 3.87 · 3.870 (est)
Chemistry & industry
Additional notes
DefinitionChEBI: Mansonone C is a sesquiterpenoid and a member of 1,2-naphthoquinones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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