Basic information
- CAS
16171-35-0- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCC(C)CCCC(C)C)O2- InChIKey
KSPPUTNLHMPTIS-UHFFFAOYSA-N- Molecular formula
- C24H40O2
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.30283051
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 2,5,7,8-Tetramethyl-2-(4,8-dimethylnonyl)-6-hydroxychroman
- IUPAC
- 2-(4,8-dimethylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
- English name
- 2,5,7,8-tetramethyl-2-(4,8-dimethylnonyl)-6-hydroxychroman
- Molecular formula
- C24H40O2
- Molecular weight
- 360.57
Names & synonyms
2,5,7,8-Tdnhc16171-35-02,5,7,8-Tetramethyl-2-(4,8-dimethylnonyl)-6-hydroxychromanRefChem:82667SCHEMBL3109160DTXSID809365902-(4,8-Dimethylnonyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol2H-1-Benzopyran-6-ol, 2-(4,8-dimethylnonyl)-3,4-dihydro-2,5,7,8-tetramethyl-
Database identifiers
- CAS
16171-35-0- PubChem CID
- 152133
- DTXSID
DTXSID80936590- Nikkaji
- J351.199E
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 471.9 · 471.9±45.0 °C(Predicted)
- Density
- 0.949 · 0.949±0.06 g/cm3(Predicted)
- pka
- 11.4 · 11.40±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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