Basic information
- CAS
26685-58-5- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC2CCC2)CC1- InChIKey
PTPPLPQQZXLCHG-UHFFFAOYSA-N- Molecular formula
- C28H43NO2
- Average molar mass
- 425.6 g/mol
- Monoisotopic mass
- 425.32937961
Names & identifiers
- Preferred name
- 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(cyclobutylmethyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-
- IUPAC
- 2-(cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
- English name
- 2-(Cyclobutylmethyl)-8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
- Molecular formula
- C28H43NO2
- Molecular weight
- 425.65
Names & synonyms
BRN 122962126685-58-55H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-2-(cyclobutylmethyl)-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-RefChem:305118DTXSID609495022-(Cyclobutylmethyl)-5,5-dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol2-(Cyclobutylmethyl)-8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 2-(cyclobutylmethyl)-8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-
Database identifiers
- CAS
26685-58-5- PubChem CID
- 213544
- DTXSID
DTXSID60949502- Nikkaji
- J41.993A
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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