2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid

C8H10O3 — CID 22618967

IUPAC2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid
SMILESO=C(O)CC1CC2C=CC1O2
InChIInChI=1S/C8H10O3/c9-8(10)4-5-3-6-1-2-7(5)11-6/h1-2,5-7H,3-4H2,(H,9,10)
InChIKeyFIGLXDTUKBHYCS-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.80
Rot. Bonds2

About 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid

2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid (PubChem CID 22618967) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid
PubChem CID22618967
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid
SMILESO=C(O)CC1CC2C=CC1O2
InChIInChI=1S/C8H10O3/c9-8(10)4-5-3-6-1-2-7(5)11-6/h1-2,5-7H,3-4H2,(H,9,10)
InChIKeyFIGLXDTUKBHYCS-UHFFFAOYSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid (CID 22618967) is 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid is O=C(O)CC1CC2C=CC1O2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid?
The InChIKey is FIGLXDTUKBHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-8(10)4-5-3-6-1-2-7(5)11-6/h1-2,5-7H,3-4H2,(H,9,10).
What are the key properties of 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid?
2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid has a molecular weight of 154.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]hept-5-en-2-yl)acetic acid is sourced from PubChem (CID 22618967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).