(4-acetyloxyfuran-3-yl) acetate

C8H8O5 — CID 159892676

IUPAC(4-acetyloxyfuran-3-yl) acetate
SMILESCC(=O)Oc1cocc1OC(C)=O
InChIInChI=1S/C8H8O5/c1-5(9)12-7-3-11-4-8(7)13-6(2)10/h3-4H,1-2H3
InChIKeyNUYLWBSBIBNRNQ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.13
Rot. Bonds2

About (4-acetyloxyfuran-3-yl) acetate

(4-acetyloxyfuran-3-yl) acetate (PubChem CID 159892676) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is (4-acetyloxyfuran-3-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxyfuran-3-yl) acetate
PubChem CID159892676
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(4-acetyloxyfuran-3-yl) acetate
SMILESCC(=O)Oc1cocc1OC(C)=O
InChIInChI=1S/C8H8O5/c1-5(9)12-7-3-11-4-8(7)13-6(2)10/h3-4H,1-2H3
InChIKeyNUYLWBSBIBNRNQ-UHFFFAOYSA-N
XLogP1.13
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-4-oxopyran-3-yl) acetate
CID 46897088
(5-acetyl-2-methylfuran-3-yl) acetate
CID 174700084
(6-acetyloxy-2-methyl-1,3-dihydroisoindol-5-yl) acetate
CID 15223140
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
(2-fluoro-4,5-dihydroxyphenyl) acetate
CID 91585286
(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346
1-benzofuran-3-yl acetate
CID 2769621
(5-iodo-1-benzofuran-3-yl) acetate
CID 13013050
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
(2,3-dimethyl-5-sulfanylphenyl) acetate
CID 134356913
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyfuran-3-yl) acetate?
The IUPAC name of (4-acetyloxyfuran-3-yl) acetate (CID 159892676) is (4-acetyloxyfuran-3-yl) acetate.
What is the SMILES notation for (4-acetyloxyfuran-3-yl) acetate?
The canonical SMILES for (4-acetyloxyfuran-3-yl) acetate is CC(=O)Oc1cocc1OC(C)=O.
What is the InChIKey of (4-acetyloxyfuran-3-yl) acetate?
The InChIKey is NUYLWBSBIBNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-5(9)12-7-3-11-4-8(7)13-6(2)10/h3-4H,1-2H3.
What are the key properties of (4-acetyloxyfuran-3-yl) acetate?
(4-acetyloxyfuran-3-yl) acetate has a molecular weight of 184.15 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxyfuran-3-yl) acetate is sourced from PubChem (CID 159892676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).