Basic information
- CAS
626-30-2- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC- InChIKey
OMJRVNYAQYMXFR-UHFFFAOYSA-N- Molecular formula
- C26H52O2
- Average molar mass
- 396.7 g/mol
- Monoisotopic mass
- 396.3967309
Names & identifiers
- Preferred name
- 1-Methylheptyl stearate
- IUPAC
- octan-2-yl octadecanoate
- English name
- 1-methylheptyl stearate
- Molecular formula
- C26H52O2
- Molecular weight
- 396.69
Names & synonyms
626-30-21-Methylheptyl stearateoctan-2-yl octadecanoateEINECS 210-942-61-methylheptyl octadecanoateSCHEMBL4625023DTXSID50978169OMJRVNYAQYMXFR-UHFFFAOYSA-NNS00042926Stearic acid 1-methylheptyl esterOctadecanoic acid, 1-methylheptyl ester
Database identifiers
- CAS
626-30-2- PubChem CID
- 102453
- DTXSID
DTXSID50978169- EC Number
- 210-942-6
- Nikkaji
- J96.523E
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
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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