but-2-enyl 2-pentoxyacetate

C11H20O3 — CID 3085871

IUPACbut-2-enyl 2-pentoxyacetate
SMILESCC=CCOC(=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
InChIKeyQHBHZWFMPCJXIQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds8

About but-2-enyl 2-pentoxyacetate

but-2-enyl 2-pentoxyacetate (PubChem CID 3085871) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is but-2-enyl 2-pentoxyacetate.

Molecular Properties

Compound Namebut-2-enyl 2-pentoxyacetate
PubChem CID3085871
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namebut-2-enyl 2-pentoxyacetate
SMILESCC=CCOC(=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
InChIKeyQHBHZWFMPCJXIQ-UHFFFAOYSA-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 but-2-enyl 2-pentoxyacetate?
The IUPAC name of but-2-enyl 2-pentoxyacetate (CID 3085871) is but-2-enyl 2-pentoxyacetate.
What is the SMILES notation for but-2-enyl 2-pentoxyacetate?
The canonical SMILES for but-2-enyl 2-pentoxyacetate is CC=CCOC(=O)COCCCCC.
What is the InChIKey of but-2-enyl 2-pentoxyacetate?
The InChIKey is QHBHZWFMPCJXIQ-UHFFFAOYSA-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.
What are the key properties of but-2-enyl 2-pentoxyacetate?
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 but-2-enyl 2-pentoxyacetate is sourced from PubChem (CID 3085871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).