Basic information
- CAS
51806-23-6- Standard SMILES
CCCCCC1C(=O)CCC1C(C(=O)OC)C(=O)OC- InChIKey
ROZSFNKSMIZYLM-UHFFFAOYSA-N- Molecular formula
- C15H24O5
- Average molar mass
- 284.35 g/mol
- Monoisotopic mass
- 284.16237386
Names & identifiers
- Preferred name
- Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
- IUPAC
- dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioate
- English name
- dimethyl (3-oxo-2-pentylcyclopentyl)malonate
- Molecular formula
- C15H24O5
- Molecular weight
- 284.35
Names & synonyms
51806-23-6Dimethyl (3-oxo-2-pentylcyclopentyl)malonateEINECS 257-434-0DTXSID7029372Propanedioic acid, (3-oxo-2-pentylcyclopentyl)-, dimethyl ester1,3-DIMETHYL 2-(3-OXO-2-PENTYLCYCLOPENTYL)PROPANEDIOATEPropanedioic acid, 2-(3-oxo-2-pentylcyclopentyl)-, 1,3-dimethyl esterRefChem:588093DTXCID409372257-434-0dimethyl 2-(3-oxo-2-pentylcyclopentyl)propanedioateDimethyl 2-(3-oxo-2-pentylcyclopentyl)malonate
Show more names
(3-oxo-2-pentylcyclopentyl)-,dimethyl ester3-Oxo-2-pentylcyclopentylmalonic acid dimethyl ester
dimethyl (3-oxo-2-pentylcyclopentyl)propanedioateSCHEMBL5872496AKOS022105490DB-049884dimethyl 2-pentyl-3-oxo-cyclopentylmalonateNS00032348
Database identifiers
- CAS
51806-23-6- PubChem CID
- 103546
- DTXSID
DTXSID7029372- EC Number
- 257-434-0
- Nikkaji
- J23.235A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- EPA Substance Registry System
- Dimethyl (3-oxo-2-pentylcyclopentyl)malonate (51806-23-6)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
Related reactions
6 records
Compound notes
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