Completing data — usually done within a minute
Basic information
- CAS
56291-42-0- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)S1- InChIKey
LDHHOHIWMSUSOS-UHFFFAOYSA-N- Molecular formula
- C24H36O2S
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.24360156
Names & identifiers
- Preferred name
- 2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-2,2,4,4-tetramethyl-
- IUPAC
- 2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1H-thieno[2,3-c]chromen-9-ol
Names & synonyms
BRN 13278371,2-Dihydro-7-(1,2-dimethylheptyl)-9-hydroxy-2,2,4,4-tetramethyl-4H-thieno(2,3-c)(1)benzopyran56291-42-01,4-Dihydro-7-(1,2-dimethylheptyl)-2,2,4,4-tetramethyl-2H-thieno(2,3-c)(1)benzopyran-9-ol2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-2,2,4,4-tetramethyl-RefChem:269262CHEMBL3276134SCHEMBL11799600DTXSID60971727LDHHOHIWMSUSOS-UHFFFAOYSA-N1,2-dihydro-9-hydroxy-7-(3-methyl-2-octyl)-2,2,4,4-tetramethyl-4H-thieno-[2,3-c][1]benzopyran2,2,4,4-Tetramethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol
Database identifiers
- CAS
56291-42-0- PubChem CID
- 3043882
- DTXSID
DTXSID60971727- ChEMBL
CHEMBL3276134
Properties
Computed structural propertiesFilling in
- XLogP
- 7
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
3 records
Compound notes
Loading…