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Tert-butyl 3-cyclohexyl-2-(2-hydroxybenzoyl)prop-2-enoate

HCID 67201654
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)C(=CC1CCCCC1)C(=O)c1ccccc1O
InChIKey
POBRLYIZWADXEM-UHFFFAOYSA-N
Molecular formula
C20H26O4
Average molar mass
330.4 g/mol
Monoisotopic mass
330.18310931

Names & identifiers

Preferred name
Tert-butyl 3-cyclohexyl-2-(2-hydroxybenzoyl)prop-2-enoate
IUPAC
tert-butyl 3-cyclohexyl-2-(2-hydroxybenzoyl)prop-2-enoate

Names & synonyms

SCHEMBL1889764

Database identifiers

PubChem CID
67201654

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
480

Related reactions

2 records
New reaction record
HRID 174509 reaction equation
HRID 174509As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1236515 reaction equation
HRID 1236515As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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