(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid

C12H20O4 — CID 58128182

IUPAC(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid
SMILESC=CCCCOC(=O)CC(CCC)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-5-6-8-16-11(13)9-10(7-4-2)12(14)15/h3,10H,1,4-9H2,2H3,(H,14,15)
InChIKeyRUXAHFFGPCZLBP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.39
Rot. Bonds9

About (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid

(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid (PubChem CID 58128182) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid
PubChem CID58128182
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid
SMILESC=CCCCOC(=O)CC(CCC)C(=O)O
InChIInChI=1S/C12H20O4/c1-3-5-6-8-16-11(13)9-10(7-4-2)12(14)15/h3,10H,1,4-9H2,2H3,(H,14,15)
InChIKeyRUXAHFFGPCZLBP-UHFFFAOYSA-N
XLogP2.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid?
The IUPAC name of (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid (CID 58128182) is (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid?
The canonical SMILES for (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid is C=CCCCOC(=O)CC(CCC)C(=O)O.
What is the InChIKey of (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid?
The InChIKey is RUXAHFFGPCZLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-5-6-8-16-11(13)9-10(7-4-2)12(14)15/h3,10H,1,4-9H2,2H3,(H,14,15).
What are the key properties of (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid?
(2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-oxo-2-pent-4-enoxyethyl)pentanoic acid is sourced from PubChem (CID 58128182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).