Basic information
- CAS
134998-71-3- Standard SMILES
CCC(CCC(C)O)COC(=O)CCCCC(=O)O- InChIKey
GUWFIYHOYMKEJE-UHFFFAOYSA-N- Molecular formula
- C14H26O5
- Average molar mass
- 274.35 g/mol
- Monoisotopic mass
- 274.17802393
Names & identifiers
- Preferred name
- 6-(2-Ethyl-5-hydroxy-hexoxy)-6-oxo-hexanoic acid
- IUPAC
- 6-(2-ethyl-5-hydroxyhexoxy)-6-oxohexanoic acid
- English name
- Mono-(2-ethyl-5-hydroxyhexyl)adipate
- Molecular formula
- C14H26O5
- Molecular weight
- 274.35
Names & synonyms
134998-71-36-(2-Ethyl-5-hydroxy-hexoxy)-6-oxo-hexanoic acidMono(2-ethyl-5-hydroxyhexyl) adipateCCRIS 42819WE40ISV2UUNII-9WE40ISV2UHexanedioic acid, mono(2-ethyl-5-hydroxyhexyl) esterRefChem:1990486-(2-ethyl-5-hydroxyhexoxy)-6-oxohexanoic acid6-((2-Ethyl-5-hydroxyhexyl)oxy)-6-oxohexanoic acid6-[(2-ETHYL-5-HYDROXYHEXYL)OXY]-6-OXOHEXANOIC ACID5OH-MEHA
Show more names
Hexanedioic acid, 1-(2-ethyl-5-hydroxyhexyl) ester
SCHEMBL536451DTXSID30928844NS00115806MONO-(2-ETHYL-5-HYDROXYHEXYL)ADIPATE6-((2-Ethyl-5-hydroxyhexyl)oxy)-6-oxohexanoicacidQ27273314
Database identifiers
- CAS
134998-71-3- PubChem CID
- 154455
- DTXSID
DTXSID30928844- UNII
- 9WE40ISV2U
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Experimental & physicochemical properties
Collision Cross Section165.79 Ų [M-H]-
Physicochemical properties
- Boiling point
- 425.6 · 425.6±25.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 4.68 · 4.68±0.10(Predicted)
- FDA UNII
- 9 WE40ISV2U · 9WE40ISV2U
Chemistry & industry
Suppliers1 total
湖北恩星生物科技有限公司16621771607 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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