ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate

C8H12O3 — CID 134959106

IUPACethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=CCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1
InChIKeyXJJWMUNHIOYZPR-ZETCQYMHSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds3

About ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate

ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate (PubChem CID 134959106) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate
PubChem CID134959106
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1C=CCO1
InChIInChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1
InChIKeyXJJWMUNHIOYZPR-ZETCQYMHSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate (CID 134959106) is ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate is CCOC(=O)C[C@@H]1C=CCO1.
What is the InChIKey of ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate?
The InChIKey is XJJWMUNHIOYZPR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-10-8(9)6-7-4-3-5-11-7/h3-4,7H,2,5-6H2,1H3/t7-/m0/s1.
What are the key properties of ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate?
ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate has a molecular weight of 156.18 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R)-2,5-dihydrofuran-2-yl]acetate is sourced from PubChem (CID 134959106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).