Basic information
- CAS
41205-45-2- Standard SMILES
C=CCC1(c2ccccc2C(=O)OC)CC(C)OC1=O- InChIKey
QUHMHLIMGCIDSZ-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Names & identifiers
- Preferred name
- Benzoic acid, o-(3-allyl-5-methyl-2-oxotetrahydro-3-furyl)-, methyl ester
- IUPAC
- methyl 2-(5-methyl-2-oxo-3-prop-2-enyloxolan-3-yl)benzoate
- English name
- o-(3-Allyl-5-methyl-2-oxotetrahydrofuran-3-yl)benzoic acid methyl ester
- Molecular formula
- C16H18O4
- Molecular weight
- 274.31
Names & synonyms
BRN 143486941205-45-2o-(3-Allyl-5-methyl-2-oxotetrahydro-3-furyl)benzoic acid methyl ester5-18-08-00371 (Beilstein Handbook Reference)alpha-Allyl-alpha-(o-carbomethoxy)phenyl-gamma-methyl-gamma-butyrolactone2-(Tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-3-furanyl)benzoic acid methyl esteralpha-Allilo-alpha-(o-karbometoksy)fenylowej-gamma-metylo-gamma-butyrolaktonu [Polish]Benzoic acid, 2-(tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-3-furanyl)-, methyl esterBENZOIC ACID, o-(3-ALLYL-5-METHYL-2-OXOTETRAHYDRO-3-FURYL)-, METHYL ESTERalpha-Allilo-alpha-(o-karbometoksy)fenylowej-gamma-metylo-gamma-butyrolaktonuRefChem:327758DTXSID00961501
Show more names
o-(3-Allyl-5-methyl-2-oxotetrahydrofuran-3-yl)benzoic acid methyl esterBenzoic acid, 2-[tetrahydro-5-methyl-2-oxo-3-(2-propen-1-yl)-3-furanyl]-, methyl ester
Methyl 2-[5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolan-3-yl]benzoate
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 427.5 · 427.5±45.0 °C(Predicted)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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