Basic information
- CAS
17961-12-5- Standard SMILES
CCCCCCCCOC(=O)CCCCC(=O)O- InChIKey
IHLDEDLAZNFOJB-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- Octyl hydrogen adipate
- IUPAC
- 6-octoxy-6-oxohexanoic acid
- English name
- octyl hydrogen adipate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35384
Names & synonyms
Octyl hydrogen adipate17961-12-56-octoxy-6-oxohexanoic acid2ZZD3RV7T26-(octyloxy)-6-oxohexanoic acidmonooctyl adipateHexanedioic acid, 1-octyl esterEINECS 241-885-5UNII-2ZZD3RV7T2OCTYL ALCOHOL, ADIPATESCHEMBL137195ADIPIC ACID, OCTYL ESTER
Show more names
Adipic acid 1-octyl esterAdipic acid hydrogen 1-octyl ester
DTXSID30170846IHLDEDLAZNFOJB-UHFFFAOYSA-NADIPIC ACID, MONOOCTYL ESTERHEXANEDIOIC ACID, MONOOCTYL ESTERNS00025914
Database identifiers
- CAS
17961-12-5- PubChem CID
- 87374
- DTXSID
DTXSID30170846- UNII
- 2ZZD3RV7T2
- EC Number
- 241-885-5
- Nikkaji
- J21.768I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 2 ZZD3RV7T2 · 2ZZD3RV7T2
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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