ethyl 2-cyclopent-2-en-1-yloxyacetate

C9H14O3 — CID 142141236

IUPACethyl 2-cyclopent-2-en-1-yloxyacetate
SMILESCCOC(=O)COC1C=CCC1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)7-12-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyJWKREJUFLYHLQT-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-cyclopent-2-en-1-yloxyacetate

ethyl 2-cyclopent-2-en-1-yloxyacetate (PubChem CID 142141236) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-cyclopent-2-en-1-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-cyclopent-2-en-1-yloxyacetate
PubChem CID142141236
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-cyclopent-2-en-1-yloxyacetate
SMILESCCOC(=O)COC1C=CCC1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)7-12-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyJWKREJUFLYHLQT-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopent-2-en-1-yloxyacetate?
The IUPAC name of ethyl 2-cyclopent-2-en-1-yloxyacetate (CID 142141236) is ethyl 2-cyclopent-2-en-1-yloxyacetate.
What is the SMILES notation for ethyl 2-cyclopent-2-en-1-yloxyacetate?
The canonical SMILES for ethyl 2-cyclopent-2-en-1-yloxyacetate is CCOC(=O)COC1C=CCC1.
What is the InChIKey of ethyl 2-cyclopent-2-en-1-yloxyacetate?
The InChIKey is JWKREJUFLYHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-11-9(10)7-12-8-5-3-4-6-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of ethyl 2-cyclopent-2-en-1-yloxyacetate?
ethyl 2-cyclopent-2-en-1-yloxyacetate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopent-2-en-1-yloxyacetate is sourced from PubChem (CID 142141236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).