Dioctyl 2-hydroxybutanedioate
Basic information
- CAS
15763-02-7- Standard SMILES
CCCCCCCCOC(=O)CC(O)C(=O)OCCCCCCCC- InChIKey
CNHQWLUGXFIDAT-UHFFFAOYSA-N- Molecular formula
- C20H38O5
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.27192431
Overview
See also: Butanedioic acid, hydroxy-, dioctyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Dioctyl 2-hydroxybutanedioate
- IUPAC
- dioctyl 2-hydroxybutanedioate
- English name
- DIOCTYLMALATE
- Molecular formula
- C20H38O5
- Molecular weight
- 358.51
Names & synonyms
Dioctyl 2-hydroxysuccinate15763-02-7Dioctyl 2-hydroxybutanedioatedioctyl malateButanedioic acid, 2-hydroxy-, 1,4-dioctyl esterSCHEMBL33595DTXSID30431328CNHQWLUGXFIDAT-UHFFFAOYSA-NG69935DIOCTYLMALATEMalic acid dioctyl esterButanedioic acid, hydroxy-, dioctyl ester
Database identifiers
- CAS
15763-02-7- PubChem CID
- 9820174
- DTXSID
DTXSID30431328- Nikkaji
- J512.409C
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 220 · 220-221 °C(Press: 6-7 Torr)
- Density
- 0.961 g/cm3 · 0.961 g/cm3
- pka
- 12.15 · 12.15±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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