2,6-Diisopropylphenyl acetate

HCID 596091
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Basic information

Standard SMILES
CC(=O)Oc1c(C(C)C)cccc1C(C)C
InChIKey
UVYYQAXNOURFPH-UHFFFAOYSA-N
Molecular formula
C14H20O2
Average molar mass
220.31 g/mol

Names & identifiers

Preferred name
2,6-Diisopropylphenyl acetate
IUPAC
[2,6-di(propan-2-yl)phenyl] acetate

Names & synonyms

2,6-Diisopropylphenyl acetate[2,6-di(propan-2-yl)phenyl] acetateCHEMBL56587SCHEMBL1927023SCHEMBL9181393UVYYQAXNOURFPH-UHFFFAOYSA-PD183575InChI=1/C14H20O2/c1-9(2)12-7-6-8-13(10(3)4)14(12)16-11(5)15/h6-10H,1-5H3

Database identifiers

PubChem CID
596091
ChEMBL
CHEMBL56587
Nikkaji
J964.202A

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
16

Related reactions

5 records
New reaction record

Linked notes

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