(4'-t-BUTYLCYCLOHEXYL)-3-MERCAPTO-PROPIONATE

HCID 20212366
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Basic information

Standard SMILES
CC(C)(C)C1CCC(OC(=O)CCS)CC1
InChIKey
LRDBFMQLUCNJNS-UHFFFAOYSA-N
Molecular formula
C13H24O2S
Average molar mass
244.4 g/mol

Names & identifiers

Preferred name
(4'-t-BUTYLCYCLOHEXYL)-3-MERCAPTO-PROPIONATE
IUPAC
(4-tert-butylcyclohexyl) 3-sulfanylpropanoate

Names & synonyms

LRDBFMQLUCNJNS-UHFFFAOYSA-N(4'-t-BUTYLCYCLOHEXYL)-3-MERCAPTO-PROPIONATE

Database identifiers

PubChem CID
20212366

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
27.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
16

Related reactions

3 records
New reaction record

Compound notes

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