2-(2-oxo-5-pentyloxolan-3-yl)acetic acid

C11H18O4 — CID 3242755

IUPAC2-(2-oxo-5-pentyloxolan-3-yl)acetic acid
SMILESCCCCCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C11H18O4/c1-2-3-4-5-9-6-8(7-10(12)13)11(14)15-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyPTYWKTSUOWGNCD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.97
Rot. Bonds6

About 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid

2-(2-oxo-5-pentyloxolan-3-yl)acetic acid (PubChem CID 3242755) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-oxo-5-pentyloxolan-3-yl)acetic acid
PubChem CID3242755
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(2-oxo-5-pentyloxolan-3-yl)acetic acid
SMILESCCCCCC1CC(CC(=O)O)C(=O)O1
InChIInChI=1S/C11H18O4/c1-2-3-4-5-9-6-8(7-10(12)13)11(14)15-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyPTYWKTSUOWGNCD-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid?
The IUPAC name of 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid (CID 3242755) is 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid is CCCCCC1CC(CC(=O)O)C(=O)O1.
What is the InChIKey of 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid?
The InChIKey is PTYWKTSUOWGNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-3-4-5-9-6-8(7-10(12)13)11(14)15-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid?
2-(2-oxo-5-pentyloxolan-3-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-pentyloxolan-3-yl)acetic acid is sourced from PubChem (CID 3242755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).