2-[(E)-but-2-enoxy]acetic acid

C6H10O3 — CID 12648859

IUPAC2-[(E)-but-2-enoxy]acetic acid
SMILESC/C=C/COCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-9-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+
InChIKeyFABBPZVQQJIECN-NSCUHMNNSA-N
MW130.14 g/mol
LogP0.66
Rot. Bonds4

About 2-[(E)-but-2-enoxy]acetic acid

2-[(E)-but-2-enoxy]acetic acid (PubChem CID 12648859) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]acetic acid.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]acetic acid
PubChem CID12648859
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-[(E)-but-2-enoxy]acetic acid
SMILESC/C=C/COCC(=O)O
InChIInChI=1S/C6H10O3/c1-2-3-4-9-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+
InChIKeyFABBPZVQQJIECN-NSCUHMNNSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-but-2-enoxy]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-[(E)-but-2-enoxy]acetic acid?
The IUPAC name of 2-[(E)-but-2-enoxy]acetic acid (CID 12648859) is 2-[(E)-but-2-enoxy]acetic acid.
What is the SMILES notation for 2-[(E)-but-2-enoxy]acetic acid?
The canonical SMILES for 2-[(E)-but-2-enoxy]acetic acid is C/C=C/COCC(=O)O.
What is the InChIKey of 2-[(E)-but-2-enoxy]acetic acid?
The InChIKey is FABBPZVQQJIECN-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-4-9-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]acetic acid?
2-[(E)-but-2-enoxy]acetic acid has a molecular weight of 130.14 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]acetic acid is sourced from PubChem (CID 12648859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).