(5-Hydroxypentyloxy)-acetic acid tert-butyl ester
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Basic information
- CAS
144682-02-0- Standard SMILES
CC(C)(C)OC(=O)COCCCCCO- InChIKey
QACAVVSSCIDMRJ-UHFFFAOYSA-N- Molecular formula
- C11H22O4
- Average molar mass
- 218.29 g/mol
Names & identifiers
- Preferred name
- (5-Hydroxypentyloxy)-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-(5-hydroxypentoxy)acetate
- English name
- (5-Hydroxypentyloxy)-acetic acid tert-butyl ester
- Molecular formula
- C11H22O4
- Molecular weight
- 218.29
Names & synonyms
144682-02-0tert-butyl 2-(5-hydroxypentoxy)acetate(5-Hydroxypentyloxy)-acetic acid tert-butyl estertert-Butyl 2-((5-hydroxypentyl)oxy)acetatetert-butyl 2-[(5-hydroxypentyl)oxy]acetateSCHEMBL17941018QACAVVSSCIDMRJ-UHFFFAOYSA-NAKOS037654999MS-21749DB-144898CS-0438807(5-Hydroxy-pentyloxy)-acetic acid tert-butyl ester
Show more names
1,1-Dimethylethyl 2-[(5-hydroxypentyl)oxy]acetateAcetic acid, 2-[(5-hydroxypentyl)oxy]-, 1,1-dimethylethyl ester
A1-11687
Database identifiers
- CAS
144682-02-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 308.2 · 308.2±22.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- pka
- 15.14 · 15.14±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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