Basic information
- CAS
58019-92-4- Standard SMILES
C=CCN1CCC2=C(C1)c1c(OC(C)=O)cc(C(C)C(C)CCCCC)cc1OC2(C)C- InChIKey
CWNUMNCFXZZXKT-UHFFFAOYSA-N- Molecular formula
- C28H41NO3
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.30864417
Names & identifiers
- Preferred name
- 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)
- IUPAC
- [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-enyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] acetate
- English name
- 1,2,3,4-Tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-acetyloxy-2-(2-propenyl)-5H-[1]benzopyrano[4,3-c]pyridine
- Molecular formula
- C28H41NO3
- Molecular weight
- 439.63
Names & synonyms
BRN 118300758019-92-45H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propenyl)-, acetate (ester)RefChem:305120DTXSID209736061,2,3,4-Tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-acetyloxy-2-(2-propenyl)-5H-[1]benzopyrano[4,3-c]pyridineDB-3008895,5-Dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-en-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl acetate2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propen-1-yl)-, 10-acetate
Database identifiers
- CAS
58019-92-4- PubChem CID
- 3045012
- DTXSID
DTXSID20973606- Nikkaji
- J87.899E
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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