Basic information
- CAS
5436-84-0- Standard SMILES
CCC(C)c1ccc(OCC(C)OC(=O)C(C)C)cc1- InChIKey
DNSYAWKALZLGGC-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.18819469
Names & identifiers
- Preferred name
- 1-(4-Butan-2-ylphenoxy)propan-2-yl 2-methylpropanoate
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-yl 2-methylpropanoate
- English name
- 1-(4-butan-2-ylphenoxy)propan-2-yl 2-methylpropanoate
- Molecular formula
- C17H26O3
- Molecular weight
- 278.39
Names & synonyms
5436-84-01-(4-butan-2-ylphenoxy)propan-2-yl 2-methylpropanoate1-[4-(butan-2-yl)phenoxy]propan-2-yl 2-methylpropanoateNSC21779DTXSID20281475NSC 21779NSC-21779Propanoic acid, 2-methyl-, 1-methyl-2-[4-(1-methylpropyl)phenoxy]ethyl ester
Database identifiers
- CAS
5436-84-0- PubChem CID
- 228682
- DTXSID
DTXSID20281475
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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