3-[(2-Methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhexanoic acid

HCID 9863149
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Basic information

Standard SMILES
CC(C)CC(C(=O)O)C(CCCc1ccccc1)C(=O)OC(C)(C)C
InChIKey
YBHJBGJZXJBSBO-UHFFFAOYSA-N
Molecular formula
C21H32O4
Average molar mass
348.5 g/mol
Monoisotopic mass
348.2300595

Names & identifiers

Preferred name
3-[(2-Methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhexanoic acid
IUPAC
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)-6-phenylhexanoic acid

Names & synonyms

SCHEMBL6659518

Database identifiers

PubChem CID
9863149

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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