4-Methyl-2-oxo-2H-1-benzopyran-6,7-diyl bis[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate]
Basic information
- CAS
7403-52-3- Standard SMILES
CC(C)=CC1C(C(=O)Oc2cc3oc(=O)cc(C)c3cc2OC(=O)C2C(C=C(C)C)C2(C)C)C1(C)C- InChIKey
HVXXRNNZWRFOGT-UHFFFAOYSA-N- Molecular formula
- C30H36O6
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.25118886
Names & identifiers
- Preferred name
- 4-Methyl-2-oxo-2H-1-benzopyran-6,7-diyl bis[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate]
- IUPAC
- [7-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxy-4-methyl-2-oxochromen-6-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
7403-52-3NSC15739DTXSID30328269NSC-157394-Methyl-2-oxo-2H-1-benzopyran-6,7-diyl bis[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate]
Database identifiers
- CAS
7403-52-3- PubChem CID
- 408767
- DTXSID
DTXSID30328269
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,040
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Compound notes
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