3,6,9,12,15,18,21,24,27-Nonaoxahentetracontan-1-ol
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Basic information
- CAS
7300-81-4- Standard SMILES
CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO- InChIKey
UOALIJJTQGHCBM-UHFFFAOYSA-N- Molecular formula
- C32H66O10
- Average molar mass
- 610.9 g/mol
- Monoisotopic mass
- 610.4655983
Names & identifiers
- Preferred name
- 3,6,9,12,15,18,21,24,27-Nonaoxahentetracontan-1-ol
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- 3,6,9,12,15,18,21,24,27-nonaoxahentetracontan-1-ol
- Molecular formula
- C32H66O10
- Molecular weight
- 610.86
Names & synonyms
3,6,9,12,15,18,21,24,27-Nonaoxahentetracontan-1-ol7300-81-4O-Tetradecyl-nonaethylene GlycolSCHEMBL14097233DTXSID30223285UOALIJJTQGHCBM-UHFFFAOYSA-NNonaethylene Glycol Monotetradecyl EtherNS00037463Einecs 230-749-0HO-PEG9-(CH2)13CH326-(Tetradecyloxy)-3,6,9,12,15,18,21,24-octaoxahexacosane-1-ol2-[2-[2-[2-[2-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Database identifiers
- CAS
7300-81-4- PubChem CID
- 81733
- DTXSID
DTXSID30223285- EC Number
- 230-749-0
- Nikkaji
- J212.298G
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 39
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Boiling point
- 636.8 · 636.8±50.0 °C(Predicted)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- FDA UNII
- 20 X2W02GT8 · 20X2W02GT8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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