(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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Related Compounds

4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
2,5-Dihydrofuran-2,5-diyl diacetate
CID 284212
(r,s)-4,5-Dimethoxy-5h-furan-2-one
CID 12615322
(3-methoxy-5-oxo-2H-furan-2-yl) acetate
CID 12886070
(r,s)-5-Butoxy-4-methoxy-5h-furan-2-one
CID 85535216
(r,s)-5-Allyloxy-4-methoxy-5h-furan-2-one
CID 85535218
1,2-Diacetoxy-2-butene
CID 87120506
4,5-Diacetoxy-4,5-dihydrofuran
CID 129782796
[(2R,5S)-5-acetyloxy-2,5-dihydrofuran-2-yl] acetate
CID 12719906
propan-2-yl (Z)-3-(1,4-dioxan-2-yloxy)but-2-enoate
CID 121222390
Methyl 5-methoxy-2,5-dihydrofurylideneacetate
CID 129794912
Pyrandiol diacetate
CID 129811109

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).