Basic information
- CAS
58587-08-9- Standard SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)SC(C)(C)C- InChIKey
LUSFYXNXJWEXLR-UHFFFAOYSA-N- Molecular formula
- C22H44O2S
- Average molar mass
- 372.7 g/mol
- Monoisotopic mass
- 372.30620182
Names & identifiers
- Preferred name
- S-(tert-Butyl) 12-hydroxyoctadecanethioate
- IUPAC
- S-tert-butyl 12-hydroxyoctadecanethioate
- English name
- S-(tert-Butyl) 12-hydroxyoctadecanethioate
- Molecular formula
- C22H44O2S
- Molecular weight
- 372.65
Names & synonyms
S-(tert-Butyl) 12-hydroxyoctadecanethioate58587-08-9DTXSID70337976RefChem:379480DTXCID30289063S-tert-butyl 12-hydroxyoctadecanethioateLUSFYXNXJWEXLR-UHFFFAOYSA-NS-(tert-Butyl) 12-hydroxyoctadecanethioate #12-Hydroxyoctadecanethioic acid, S-t-butyl esterOctadecanethioic acid, 12-hydroxy-, S-(1,1-dimethylethyl) ester
Database identifiers
- CAS
58587-08-9- PubChem CID
- 545752
- DTXSID
DTXSID70337976
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 310
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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