Basic information
- CAS
55017-92-0- Standard SMILES
CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)OC- InChIKey
IPJRKWPQYPZWAJ-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- Methyl 3-(o-(hexadecyloxy)phenyl)-3-oxopropionate
- IUPAC
- methyl 3-(2-hexadecoxyphenyl)-3-oxopropanoate
- English name
- methyl 3-[o-(hexadecyloxy)phenyl]-3-oxopropionate
- Molecular formula
- C26H42O4
- Molecular weight
- 418.61
Names & synonyms
Methyl 3-(o-(hexadecyloxy)phenyl)-3-oxopropionate55017-92-0methyl 3-[2-(hexadecyloxy)phenyl]-3-oxopropanoateEINECS 259-434-6XMF68KW675CHEMBL3273753SCHEMBL11306055DTXSID20203556IPJRKWPQYPZWAJ-UHFFFAOYSA-NAKOS024430220NS00033222Methyl 2-(hexadecyloxy)-beta-oxobenzenepropanoate
Show more names
METHYL 2-(HEXADECYLOXY)BENZOYLACETATEmethyl 3-[o-(hexadecyloxy)phenyl]-3-oxopropionate2-(Hexadecyloxy)-β-oxobenzenepropionic acid methyl esterBenzenepropanoic acid, 2-(hexadecyloxy)-β-oxo-, methyl ester
Benzenepropanoic acid, 2-(hexadecyloxy)-beta-oxo-, methyl ester
Database identifiers
- CAS
55017-92-0- PubChem CID
- 108656
- DTXSID
DTXSID20203556- ChEMBL
CHEMBL3273753- UNII
- XMF68KW675
- EC Number
- 259-434-6
- Nikkaji
- J326.720B
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 435
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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