5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-, acetate (ester)
Completing data — refresh the page later to see the latest
Basic information
- CAS
22168-82-7- Standard SMILES
CCCCCC(C)C(C)c1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2CN(C)CC1- InChIKey
SXIKWTUYFPIIKO-UHFFFAOYSA-N- Molecular formula
- C26H39NO3
- Average molar mass
- 413.6 g/mol
- Monoisotopic mass
- 413.29299411
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-methyl-, acetate (ester)
- IUPAC
- [2,5,5-trimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] acetate
- English name
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-2,5,5-trimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol acetate
- Molecular weight
- 0
Names & synonyms
22168-82-7BRN 11770005H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-2-methyl-, acetate (ester)RefChem:305122DTXSID409448188-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-2,5,5-trimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol acetate2,5,5-Trimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl acetate
Database identifiers
- CAS
22168-82-7- PubChem CID
- 211065
- DTXSID
DTXSID40944818- Nikkaji
- J41.996F
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
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Compound notes
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