10-Acetoxy-8,9-epoxythymol isobutyrate
Basic information
- CAS
106009-86-3- Standard SMILES
CC(=O)OCC1OC1c1ccc(C)cc1OC(=O)C(C)C- InChIKey
CHFWFMPGEYPRST-UHFFFAOYSA-N- Molecular formula
- C16H20O5
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13107373
Overview
structure given in first source
Names & identifiers
- Preferred name
- 10-Acetoxy-8,9-epoxythymol isobutyrate
- IUPAC
- [2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoate
- English name
- 10-acetoxy-8,9-epoxythymol isobutyrate
- Molecular formula
- C16H20O5
- Molecular weight
- 292.327
Names & synonyms
AETIB10-Acetoxy-8,9-epoxythymol isobutyrate106009-86-3RefChem:77424Propanoic acid, 2-methyl-, 2-(3-((acetyloxy)methyl)oxiranyl)-5-methylphenyl esterPropanoic acid, 2-methyl-, 2-[3-[(acetyloxy)methyl]oxiranyl]-5-methylphenyl ester[2-[3-(acetyloxymethyl)oxiran-2-yl]-5-methylphenyl] 2-methylpropanoateDTXSID20909869CHFWFMPGEYPRST-UHFFFAOYSA-N10-acetoxy-8,9-epoxythymolisobutyrate2-(3-[(Acetyloxy)methyl]-2-oxiranyl)-5-methylphenyl 2-methylpropanoate2-(3-[(Acetyloxy)methyl]-2-oxiranyl)-5-methylphenyl 2-methylpropanoate #
Show more names
2-{3-[(ACETYLOXY)METHYL]OXIRAN-2-YL}-5-METHYLPHENYL 2-METHYLPROPANOATE
Database identifiers
- CAS
106009-86-3- PubChem CID
- 129165
- DTXSID
DTXSID20909869
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
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Compound notes
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