ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate

C10H14O5 — CID 14741142

IUPACethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC(C)=O)C1
InChIInChI=1S/C10H14O5/c1-4-13-10(12)8-5-9(14-6(8)2)15-7(3)11/h9H,4-5H2,1-3H3
InChIKeyXEJKTSJINXBISH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.13
Rot. Bonds3

About ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate

ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 14741142) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID14741142
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(OC(C)=O)C1
InChIInChI=1S/C10H14O5/c1-4-13-10(12)8-5-9(14-6(8)2)15-7(3)11/h9H,4-5H2,1-3H3
InChIKeyXEJKTSJINXBISH-UHFFFAOYSA-N
XLogP1.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 14741142) is ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(OC(C)=O)C1.
What is the InChIKey of ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is XEJKTSJINXBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-13-10(12)8-5-9(14-6(8)2)15-7(3)11/h9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 214.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14741142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).