NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
Basic information
- CAS
99671-97-3- Standard SMILES
CC(C)=CCCC1=COC2=C(C)C(=O)C(=O)c3c(C)ccc1c32- InChIKey
DSVUOBIQVPVZST-UHFFFAOYSA-N- Molecular formula
- C20H20O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.1412445
Names & identifiers
- Preferred name
- NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-
- IUPAC
- 8,12-dimethyl-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
Names & synonyms
Biflorin (Capraria)BRN 0034279NAPHTHO(1,8-bc)PYRAN-7,8-DIONE, 6,9-DIMETHYL-3-(4-METHYL-3-PENTENYL)-DTXSID902441984-17-00-06468 (Beilstein Handbook Reference)8,12-dimethyl-4-(4-methylpent-3-enyl)-2-oxatricyclo(7.3.1.05,13)trideca-1(12),3,5(13),6,8-pentaene-10,11-dione8,12-dimethyl-4-(4-methylpent-3-enyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dioneRefChem:365426DTXCID9016668999671-97-3CHEMBL252517SCHEMBL1765780
Show more names
6,9-Dimethyl-3-(4-methylpent-3-en-1-yl)naphtho[1,8-bc]pyran-7,8-dione
Database identifiers
- CAS
99671-97-3- PubChem CID
- 57525
- DTXSID
DTXSID90244198- ChEMBL
CHEMBL252517- Nikkaji
- J91.883K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 631
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Compound notes
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