Basic information
- CAS
26685-53-0- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1- InChIKey
BEJUUNOSKFATNL-UHFFFAOYSA-N- Molecular formula
- C23H35NO2
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.26677936
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-
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
- English name
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
- Molecular formula
- C23H35NO2
- Molecular weight
- 357.53
Names & synonyms
BRN 122517726685-53-05H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-RefChem:3051195,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-olSCHEMBL9028216DTXSID40949500BEJUUNOSKFATNL-UHFFFAOYSA-N10-hydroxy-5,5-dimethyl-8-(1,2,-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5 H-[1] benzopyrano [4,3-c] pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1] benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine
Show more names
5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol8-(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, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol(WXG01032)
5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1] benzopyrano[3,4-d]pyridine5,5-Dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
Database identifiers
- CAS
26685-53-0- PubChem CID
- 213543
- DTXSID
DTXSID40949500- Nikkaji
- J41.994J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 490.5 · 490.5±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 9.84 · 9.84±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
26 records
Compound notes
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