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Basic information
- Standard SMILES
CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(C(=O)OC)s1- InChIKey
WOWYCPPAIYKJKE-UHFFFAOYSA-N- Molecular formula
- C25H36O4S
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.2334308
Names & identifiers
- Preferred name
- 5-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-3-methyl-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-3-methylthiophene-2-carboxylate
Names & synonyms
SCHEMBL2969233WOWYCPPAIYKJKE-UHFFFAOYSA-N5-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-propyl}-3-methyl-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 10071491
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 554
Related reactions
1 records
Compound notes
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