Dodecyl 3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoate

HCID 20164021
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)C(O)(C(C)=O)c1ccccc1
InChIKey
KFFVYKPVLQMKAF-UHFFFAOYSA-N
Molecular formula
C25H40O4
Average molar mass
404.6 g/mol
Monoisotopic mass
404.29265975

Names & identifiers

Preferred name
Dodecyl 3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoate
IUPAC
dodecyl 3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoate

Names & synonyms

SCHEMBL10801989KFFVYKPVLQMKAF-UHFFFAOYSA-Ndodecyl 3-hydroxy-2,2-dimethyl-4-oxo-3-phenylpentanoate

Database identifiers

PubChem CID
20164021

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
16
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

Loading…