[(E)-but-2-enyl] 2-pentoxyacetate

C11H20O3 — CID 6450439

IUPAC[(E)-but-2-enyl] 2-pentoxyacetate
SMILESC/C=C/COC(=O)COCCCCC
InChIInChI=1S/C11H20O3/c1-3-5-7-8-13-10-11(12)14-9-6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyQHBHZWFMPCJXIQ-GQCTYLIASA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds8

About [(E)-but-2-enyl] 2-pentoxyacetate

[(E)-but-2-enyl] 2-pentoxyacetate (PubChem CID 6450439) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-pentoxyacetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-pentoxyacetate
PubChem CID6450439
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(E)-but-2-enyl] 2-pentoxyacetate
SMILESC/C=C/COC(=O)COCCCCC
InChIInChI=1S/C11H20O3/c1-3-5-7-8-13-10-11(12)14-9-6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+
InChIKeyQHBHZWFMPCJXIQ-GQCTYLIASA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-pentoxyacetate?
The IUPAC name of [(E)-but-2-enyl] 2-pentoxyacetate (CID 6450439) is [(E)-but-2-enyl] 2-pentoxyacetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-pentoxyacetate?
The canonical SMILES for [(E)-but-2-enyl] 2-pentoxyacetate is C/C=C/COC(=O)COCCCCC.
What is the InChIKey of [(E)-but-2-enyl] 2-pentoxyacetate?
The InChIKey is QHBHZWFMPCJXIQ-GQCTYLIASA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-7-8-13-10-11(12)14-9-6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+.
What are the key properties of [(E)-but-2-enyl] 2-pentoxyacetate?
[(E)-but-2-enyl] 2-pentoxyacetate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-pentoxyacetate is sourced from PubChem (CID 6450439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).