1,1'-(Decamethylenedioxy)bis(3-chloro-2-propanol)
Basic information
- CAS
24765-68-2- Standard SMILES
OC(CCl)COCCCCCCCCCCOCC(O)CCl- InChIKey
DJUQBCJUMBQLCK-UHFFFAOYSA-N- Molecular formula
- C16H32Cl2O4
- Average molar mass
- 359.3 g/mol
- Monoisotopic mass
- 358.1677649
Names & identifiers
- Preferred name
- 1,1'-(Decamethylenedioxy)bis(3-chloro-2-propanol)
- IUPAC
- 1-chloro-3-[10-(3-chloro-2-hydroxypropoxy)decoxy]propan-2-ol
- English name
- 1,1'-(Decamethylenebisoxy)bis(3-chloro-2-propanol)
- Molecular formula
- C16H32Cl2O4
- Molecular weight
- 359.33
Names & synonyms
1,1'-(Decamethylenedioxy)bis(3-chloro-2-propanol)24765-68-22-Propanol, 1,1'-(decamethylenedioxy)bis(3-chloro-12ZW8V75S5UNII-12ZW8V75S51,1'-[decane-1,10-diylbis(oxy)]bis(3-chloropropan-2-ol)U 27,045DTXSID30947676Q27251450U-270451,10-Bis(3-chloro-2-hydroxypropoxy)decane1,18-Dichloro-4,15-dioxaoctadecane-2,17-diol
Show more names
1,1'-(Decamethylenebisoxy)bis(3-chloro-2-propanol)2-Propanol, 1,1'-(decamethylenedioxy)bis[3-chloro- (8CI)
Database identifiers
- CAS
24765-68-2- PubChem CID
- 134907
- DTXSID
DTXSID30947676- UNII
- 12ZW8V75S5
- Nikkaji
- J25.808C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 483.1 · 483.1±40.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.20(Predicted)
- FDA UNII
- 12 ZW8V75S5 · 12ZW8V75S5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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