5-(3-(Ethoxycarbonyl)-2-cyclopenten-1-yl)-3-oxohexanoic acid

HCID 363371

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Basic information

CAS: 906439-11-0
Standard SMILES: CCOC(=O)C1=CC(C(C)CC(=O)CC(=O)O)CC1
InChIKey: WUCDFRGDTDWIJN-UHFFFAOYSA-N
Molecular formula: C14H20O5
Average molar mass: 268.3 g/mol
Monoisotopic mass: 268.13107373

Names & identifiers

Preferred name: 5-(3-(Ethoxycarbonyl)-2-cyclopenten-1-yl)-3-oxohexanoic acid
IUPAC: 5-(3-ethoxycarbonylcyclopent-2-en-1-yl)-3-oxohexanoic acid

Names & synonyms

NSC628253906439-11-05-(3-(Ethoxycarbonyl)-2-cyclopenten-1-yl)-3-oxohexanoic acidDTXSID303270505-[3-(ethoxycarbonyl)cyclopent-2-en-1-yl]-3-oxohexanoic acidNSC-6282535-(3-ethoxycarbonylcyclopent-2-en-1-yl)-3-oxo-hexanoic acid

Database identifiers

CAS: 906439-11-0
PubChem CID: 363371
DTXSID: DTXSID30327050

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 80.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 397

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