Basic information
- CAS
109176-12-7- Standard SMILES
CCCC1CC(C(=O)OCC)=C(C)O1- InChIKey
PDHWNPMFVJZGPL-UHFFFAOYSA-N- Molecular formula
- C11H18O3
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.12559443
Names & identifiers
- Preferred name
- 3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
- IUPAC
- ethyl 5-methyl-2-propyl-2,3-dihydrofuran-4-carboxylate
Names & synonyms
109176-12-73-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl esterEthyl 4-carboethoxy-5-methyl-2-propyl-2,3-dihydrofuranDTXSID50869503RefChem:502105DTXCID60817479SCHEMBL9330879ETHYL 2-METHYL-5-PROPYL-4,5-DIHYDROFURAN-3-CARBOXYLATE2 -propyl-4-carbethoxy-5-methyl-2,3-dihydrofuran
Database identifiers
- CAS
109176-12-7- PubChem CID
- 86111
- DTXSID
DTXSID50869503- Nikkaji
- J1.556.638H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester: INACTIVE
Related reactions
1 records
Compound notes
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