Methyl 11-[(hexadecan-2-yl)oxy]-11-(3-hydroxypropoxy)undecanoate
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Basic information
- CAS
91921-86-7- Standard SMILES
CCCCCCCCCCCCCCC(C)OC(CCCCCCCCCC(=O)OC)OCCCO- InChIKey
AQHWOGHYLYOBQA-UHFFFAOYSA-N- Molecular formula
- C31H62O5
- Average molar mass
- 514.8 g/mol
- Monoisotopic mass
- 514.45972507
Names & identifiers
- Preferred name
- Methyl 11-[(hexadecan-2-yl)oxy]-11-(3-hydroxypropoxy)undecanoate
- IUPAC
- methyl 11-hexadecan-2-yloxy-11-(3-hydroxypropoxy)undecanoate
- English name
- 11-(2-HEXADECYLOXY)-3-HYDROXYPROPOXYUNDECANOIC ACID METHYL ESTER
- Molecular formula
- C31H62O5
- Molecular weight
- 514.82
Names & synonyms
DTXSID70700166Methyl 11-[(hexadecan-2-yl)oxy]-11-(3-hydroxypropoxy)undecanoate11-(2-HEXADECYLOXY)-3-HYDROXYPROPOXYUNDECANOIC ACID METHYL ESTER
Database identifiers
- CAS
91921-86-7- PubChem CID
- 53429520
- DTXSID
DTXSID70700166
Properties
Computed structural propertiesFilling in
- XLogP
- 11
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 30
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 587.751 · 587.751±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.227 · 14.227±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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