Basic information
- CAS
58019-94-6- Standard SMILES
CC#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C.Cl- InChIKey
VIVZQEMUMQZDSU-UHFFFAOYSA-N- Molecular formula
- C27H40ClNO2
- Average molar mass
- 446.1 g/mol
- Monoisotopic mass
- 445.2747572
Names & identifiers
- Preferred name
- 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(2-butynyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-, hydrochloride
- IUPAC
- 2-but-2-ynyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol;hydrochloride
Names & synonyms
58019-94-65H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(2-butynyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-, hydrochlorideRefChem:305117DTXSID809736072-(But-2-yn-1-yl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
58019-94-6- PubChem CID
- 3045013
- DTXSID
DTXSID80973607
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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