(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate

C8H10O5 — CID 54078206

IUPAC(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate
SMILESCC(=O)OC1=CCOC1OC(C)=O
InChIInChI=1S/C8H10O5/c1-5(9)12-7-3-4-11-8(7)13-6(2)10/h3,8H,4H2,1-2H3
InChIKeyMLFBDIVTFVQNOE-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.35
Rot. Bonds2

About (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate

(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate (PubChem CID 54078206) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate
PubChem CID54078206
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate
SMILESCC(=O)OC1=CCOC1OC(C)=O
InChIInChI=1S/C8H10O5/c1-5(9)12-7-3-4-11-8(7)13-6(2)10/h3,8H,4H2,1-2H3
InChIKeyMLFBDIVTFVQNOE-UHFFFAOYSA-N
XLogP0.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate?
The IUPAC name of (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate (CID 54078206) is (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate.
What is the SMILES notation for (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate?
The canonical SMILES for (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate is CC(=O)OC1=CCOC1OC(C)=O.
What is the InChIKey of (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate?
The InChIKey is MLFBDIVTFVQNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(9)12-7-3-4-11-8(7)13-6(2)10/h3,8H,4H2,1-2H3.
What are the key properties of (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate?
(3-acetyloxy-2,5-dihydrofuran-2-yl) acetate has a molecular weight of 186.16 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2,5-dihydrofuran-2-yl) acetate is sourced from PubChem (CID 54078206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).