Basic information
- CAS
16545-53-2- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CSCc1cc(C)c(O)c(C)c1- InChIKey
IXVLEAZXSJJKFR-UHFFFAOYSA-N- Molecular formula
- C29H50O3S
- Average molar mass
- 478.8 g/mol
- Monoisotopic mass
- 478.34806663
Overview
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Names & identifiers
- Preferred name
- Octadecyl (((4-hydroxy-3,5-dimethylphenyl)methyl)thio)acetate
- IUPAC
- octadecyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetate
- English name
- octadecyl [[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate
- Molecular formula
- C29H50O3S
- Molecular weight
- 478.77
Names & synonyms
16545-53-2Octadecyl (((4-hydroxy-3,5-dimethylphenyl)methyl)thio)acetateOctadecyl [[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetateoctadecyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylsulfanyl]acetateIXVLEAZXSJJKFR-UHFFFAOYSA-NEINECS 240-612-72GGP4WE4TYSCHEMBL647318DTXSID80167948NS00025415Octadecyl {[(4-hydroxy-3,5-dimethylphenyl)methyl]sulfanyl}acetateOctadecyl 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]acetate
Show more names
OCTADECYL(4-HYDROXY-3,5-DIMETHYLBENZYL)MERCAPTOACETATE[[(4-Hydroxy-3,5-dimethylphenyl)methyl]thio]acetic acid octadecyl ester
Acetic acid, 2-[[(4-hydroxy-3,5-dimethylphenyl)methyl]thio]-, octadecyl ester
Database identifiers
- CAS
16545-53-2
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 444
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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Compound notes
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