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

C9H12O5 — CID 14737109

IUPACethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=COC(OC(C)=O)C1
InChIInChI=1S/C9H12O5/c1-3-12-9(11)7-4-8(13-5-7)14-6(2)10/h5,8H,3-4H2,1-2H3
InChIKeyOCTJLDMKGDZSGX-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.74
Rot. Bonds3

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

ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate (PubChem CID 14737109) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate
PubChem CID14737109
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=COC(OC(C)=O)C1
InChIInChI=1S/C9H12O5/c1-3-12-9(11)7-4-8(13-5-7)14-6(2)10/h5,8H,3-4H2,1-2H3
InChIKeyOCTJLDMKGDZSGX-UHFFFAOYSA-N
XLogP0.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate (CID 14737109) is ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=COC(OC(C)=O)C1.
What is the InChIKey of ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate?
The InChIKey is OCTJLDMKGDZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-12-9(11)7-4-8(13-5-7)14-6(2)10/h5,8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate?
ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetyloxy-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 14737109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).