Basic information
- CAS
405916-84-9- Standard SMILES
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)C(C)(C)C)c12- InChIKey
AKTUMLFKDPZXGJ-UHFFFAOYSA-N- Molecular formula
- C19H24O4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16745924
Names & identifiers
- Preferred name
- 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-chromen-2-one
- IUPAC
- 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propylchromen-2-one
- English name
- 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propylchromen-2-one
- Molecular formula
- C19H24O4
- Molecular weight
- 316.39
Names & synonyms
5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-chromen-2-oneOprea1_109839Oprea1_518493CCG-19463AKOS001655873NCGC00324462-01EU-0076788UNM000000612501AB01320237-02SR-01000480044SR-01000480044-15-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-2H-1-benzopyran-2-one
Show more names
5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propylchromen-2-one2H-1-Benzopyran-2-one, 5-(3,3-dimethyl-2-oxobutoxy)-7-methyl-4-propyl-
Database identifiers
- CAS
405916-84-9- PubChem CID
- 855013
- EC Number
- 140-036-5
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 473.8 · 473.8±45.0 °C(Predicted)
- Density
- 1.094 · 1.094±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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