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Tert-butyl 2-ethyl-4-(3-hydroxycyclohexyl)butanoate

HCID 21082804
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(CCC1CCCC(O)C1)C(=O)OC(C)(C)C
InChIKey
HMNQTYJTUJULCI-UHFFFAOYSA-N
Molecular formula
C16H30O3
Average molar mass
270.41 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-ethyl-4-(3-hydroxycyclohexyl)butanoate
IUPAC
tert-butyl 2-ethyl-4-(3-hydroxycyclohexyl)butanoate

Names & synonyms

SCHEMBL5575838

Database identifiers

PubChem CID
21082804

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
280

Related reactions

2 records
New reaction record
HRID 140339 reaction equation
HRID 140339As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 2132991 reaction equation
HRID 2132991As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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