1-[2-(Butan-2-yl)phenoxy]propan-2-yl 2-methylpropanoate

HCID 228680

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 5436-82-8
Standard SMILES: CCC(C)c1ccccc1OCC(C)OC(=O)C(C)C
InChIKey: MNHBCDGOEITLKO-UHFFFAOYSA-N
Molecular formula: C17H26O3
Average molar mass: 278.4 g/mol
Monoisotopic mass: 278.18819469

Names & identifiers

Preferred name: 1-[2-(Butan-2-yl)phenoxy]propan-2-yl 2-methylpropanoate
IUPAC: 1-(2-butan-2-ylphenoxy)propan-2-yl 2-methylpropanoate

Names & synonyms

5436-82-81-[2-(butan-2-yl)phenoxy]propan-2-yl 2-methylpropanoateNSC217771-(2-butan-2-ylphenoxy)propan-2-yl 2-methylpropanoateDTXSID60281474NSC-21777DS-007944

Database identifiers

CAS: 5436-82-8
PubChem CID: 228680
DTXSID: DTXSID60281474

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 288

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…