Basic information
- CAS
16720-05-1- Standard SMILES
CCCCCCc1cc2c(cc1O)OC(C)(C)C1=C2CCCC1- InChIKey
LTKDQQKMLKFYNJ-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- 6H-Dibenzo(b,d)pyran-3-ol, 6,6-dimethyl-2-hexyl-7,8,9,10-tetrahydro-
- IUPAC
- 2-hexyl-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
- English name
- 7,8,9,10-Tetrahydro-6,6-dimethyl-2-hexyl-6H-dibenzo[b,d]pyran-3-ol
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
16720-05-16,6-Dimethyl-2-hexyl-7,8,9,10-tetrahydro-6H-dibenzo(b,d)pyran-3-ol6H-DIBENZO(b,d)PYRAN-3-OL, 6,6-DIMETHYL-2-HEXYL-7,8,9,10-TETRAHYDRO-DTXSID30168248RefChem:309611DTXCID70907392-hexyl-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol7,8,9,10-Tetrahydro-6,6-dimethyl-2-hexyl-6H-dibenzo[b,d]pyran-3-ol2-Hexyl-6,6-dimethyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-ol6H-Dibenzo[b,d]pyran-3-ol, 2-hexyl-7,8,9,10-tetrahydro-6,6-dimethyl-
Database identifiers
- CAS
16720-05-1- PubChem CID
- 28012
- DTXSID
DTXSID30168248- Nikkaji
- J42.210J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Boiling point
- 455.5 · 455.5±45.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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