Basic information
- CAS
1472-90-8- Standard SMILES
CCOC(=O)CCCCCCCCCCCCCCCCC(=O)OCC- InChIKey
LGGDSXPOQVDFDO-UHFFFAOYSA-N- Molecular formula
- C22H42O4
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.30830982
Names & identifiers
- Preferred name
- Diethyl octadecanedioate
- IUPAC
- diethyl octadecanedioate
- English name
- Octadecanedioic acid diethyl ester
- Molecular weight
- 0
Names & synonyms
Diethyl octadecanedioate1472-90-8Octadecanedioic acid, diethyl esterOctadecanedioic acid diethyl esterDiethyl octadecanedioate #SCHEMBL496152CHEMBL1926994DTXSID00277452NSC2393LGGDSXPOQVDFDO-UHFFFAOYSA-NNSC-2393AKOS024399290
Database identifiers
- CAS
1472-90-8- PubChem CID
- 220110
- DTXSID
DTXSID00277452- ChEMBL
CHEMBL1926994- Nikkaji
- J144.154J
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 54.5 °C · 54.5°C
- Boiling point
- 420.44 °C · 420.44°C (rough estimate)
- Density
- 0.9733 · 0.9733 (rough estimate)
- refractive index
- 1.4433 · 1.4433 (estimate)
Chemistry & industry
Suppliers4 total
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
安那莱（齐河）新材料科技有限公司18600642180（微信同） 13391601435 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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