Octadecanoic acid, 2,2-dimethylpropyl ester
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Basic information
- CAS
102253-41-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)C- InChIKey
KKIJZWOPMWEAIV-UHFFFAOYSA-N- Molecular formula
- C23H46O2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.34978071
Names & identifiers
- Preferred name
- Octadecanoic acid, 2,2-dimethylpropyl ester
- IUPAC
- 2,2-dimethylpropyl octadecanoate
- English name
- Octadecanoic acid, 2,2-diMethylpropyl ester
- Molecular formula
- C23H46O2
- Molecular weight
- 354.61
Names & synonyms
102253-41-8Octadecanoic acid, 2,2-dimethylpropyl esterDTXSID20278668RefChem:366702DTXCID90229824neopentyl stearate2,2-dimethylpropyl octadecanoateneopentylstearateNSC9031SCHEMBL3161151SCHEMBL10494100KKIJZWOPMWEAIV-UHFFFAOYSA-N
Show more names
Neopentyl octadecanoate
NSC-9031AC9504MFCD00072716SY262801
Database identifiers
- CAS
102253-41-8- PubChem CID
- 222571
- DTXSID
DTXSID20278668
Properties
Computed structural propertiesFilling in
- XLogP
- 10.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 386.8 · 386.8±10.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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