2-(3-ethenyloxolan-3-yl)acetic acid

C8H12O3 — CID 165456918

IUPAC2-(3-ethenyloxolan-3-yl)acetic acid
SMILESC=CC1(CC(=O)O)CCOC1
InChIInChI=1S/C8H12O3/c1-2-8(5-7(9)10)3-4-11-6-8/h2H,1,3-6H2,(H,9,10)
InChIKeyUJPRDLMPWWHLRD-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.05
Rot. Bonds3

About 2-(3-ethenyloxolan-3-yl)acetic acid

2-(3-ethenyloxolan-3-yl)acetic acid (PubChem CID 165456918) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(3-ethenyloxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethenyloxolan-3-yl)acetic acid
PubChem CID165456918
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(3-ethenyloxolan-3-yl)acetic acid
SMILESC=CC1(CC(=O)O)CCOC1
InChIInChI=1S/C8H12O3/c1-2-8(5-7(9)10)3-4-11-6-8/h2H,1,3-6H2,(H,9,10)
InChIKeyUJPRDLMPWWHLRD-UHFFFAOYSA-N
XLogP1.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyloxolan-3-yl)acetic acid?
The IUPAC name of 2-(3-ethenyloxolan-3-yl)acetic acid (CID 165456918) is 2-(3-ethenyloxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(3-ethenyloxolan-3-yl)acetic acid?
The canonical SMILES for 2-(3-ethenyloxolan-3-yl)acetic acid is C=CC1(CC(=O)O)CCOC1.
What is the InChIKey of 2-(3-ethenyloxolan-3-yl)acetic acid?
The InChIKey is UJPRDLMPWWHLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-8(5-7(9)10)3-4-11-6-8/h2H,1,3-6H2,(H,9,10).
What are the key properties of 2-(3-ethenyloxolan-3-yl)acetic acid?
2-(3-ethenyloxolan-3-yl)acetic acid has a molecular weight of 156.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyloxolan-3-yl)acetic acid is sourced from PubChem (CID 165456918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).