Isodecyl hydrogen adipate
Completing data — refresh the page later to see the latest
Basic information
- CAS
53595-56-5- Standard SMILES
CC(C)CCCCCCCOC(=O)CCCCC(=O)O- InChIKey
IXSNSMTVBCIFOP-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440943
Names & identifiers
- Preferred name
- Isodecyl hydrogen adipate
- IUPAC
- 6-(8-methylnonoxy)-6-oxohexanoic acid
- English name
- isodecyl hydrogen adipate
- Molecular formula
- C16H30O4
- Molecular weight
- 286.407
Names & synonyms
Isodecyl hydrogen adipate53595-56-5Hexanedioic acid, isodecyl ester85480-28-0EINECS 258-656-0EINECS 287-307-5SCHEMBL1008477DTXSID70968365IXSNSMTVBCIFOP-UHFFFAOYSA-NDB-254961NS000577716-[(8-METHYLNONYL)OXY]-6-OXOHEXANOIC ACID
Database identifiers
- CAS
53595-56-5、85480-28-0- PubChem CID
- 104544
- DTXSID
DTXSID70968365- EC Number
- 258-656-0、287-307-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…