(E)-4-(oxetan-3-yl)but-3-enoic acid

C7H10O3 — CID 174180839

IUPAC(E)-4-(oxetan-3-yl)but-3-enoic acid
SMILESO=C(O)C/C=C/C1COC1
InChIInChI=1S/C7H10O3/c8-7(9)3-1-2-6-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1+
InChIKeyHGUXBVIAYQQPBL-OWOJBTEDSA-N
MW142.15 g/mol
LogP0.66
Rot. Bonds3

About (E)-4-(oxetan-3-yl)but-3-enoic acid

(E)-4-(oxetan-3-yl)but-3-enoic acid (PubChem CID 174180839) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (E)-4-(oxetan-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(oxetan-3-yl)but-3-enoic acid
PubChem CID174180839
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(E)-4-(oxetan-3-yl)but-3-enoic acid
SMILESO=C(O)C/C=C/C1COC1
InChIInChI=1S/C7H10O3/c8-7(9)3-1-2-6-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1+
InChIKeyHGUXBVIAYQQPBL-OWOJBTEDSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.66
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 (E)-4-(oxetan-3-yl)but-3-enoic acid?
The IUPAC name of (E)-4-(oxetan-3-yl)but-3-enoic acid (CID 174180839) is (E)-4-(oxetan-3-yl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(oxetan-3-yl)but-3-enoic acid?
The canonical SMILES for (E)-4-(oxetan-3-yl)but-3-enoic acid is O=C(O)C/C=C/C1COC1.
What is the InChIKey of (E)-4-(oxetan-3-yl)but-3-enoic acid?
The InChIKey is HGUXBVIAYQQPBL-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)3-1-2-6-4-10-5-6/h1-2,6H,3-5H2,(H,8,9)/b2-1+.
What are the key properties of (E)-4-(oxetan-3-yl)but-3-enoic acid?
(E)-4-(oxetan-3-yl)but-3-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(oxetan-3-yl)but-3-enoic acid is sourced from PubChem (CID 174180839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).