(5-acetyl-2-methylfuran-3-yl) acetate

C9H10O4 — CID 174700084

IUPAC(5-acetyl-2-methylfuran-3-yl) acetate
SMILESCC(=O)Oc1cc(C(C)=O)oc1C
InChIInChI=1S/C9H10O4/c1-5(10)8-4-9(6(2)12-8)13-7(3)11/h4H,1-3H3
InChIKeyLOONSMLLHDFSJS-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.72
Rot. Bonds2

About (5-acetyl-2-methylfuran-3-yl) acetate

(5-acetyl-2-methylfuran-3-yl) acetate (PubChem CID 174700084) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is (5-acetyl-2-methylfuran-3-yl) acetate.

Molecular Properties

Compound Name(5-acetyl-2-methylfuran-3-yl) acetate
PubChem CID174700084
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name(5-acetyl-2-methylfuran-3-yl) acetate
SMILESCC(=O)Oc1cc(C(C)=O)oc1C
InChIInChI=1S/C9H10O4/c1-5(10)8-4-9(6(2)12-8)13-7(3)11/h4H,1-3H3
InChIKeyLOONSMLLHDFSJS-UHFFFAOYSA-N
XLogP1.72
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
[2-acetyloxy-4-(2-hydroxyethyl)phenyl] acetate
CID 11694368
(2-acetyl-9-acetyloxybenzo[f][1]benzofuran-4-yl) acetate
CID 66546825
(6-ethyl-3-methyl-2-oxopyran-4-yl) acetate
CID 86101476
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(6-methyl-4-oxopyran-3-yl) acetate
CID 46897088
tris[2-(3,4-diacetyloxyphenyl)ethyl]selanium
CID 71489018
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
[2-(7-acetyloxy-4-chloro-1-benzofuran-2-carbonyl)-4-chloro-1-benzofuran-7-yl] acetate
CID 13471350
[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
CID 14261267

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methylfuran-3-yl) acetate?
The IUPAC name of (5-acetyl-2-methylfuran-3-yl) acetate (CID 174700084) is (5-acetyl-2-methylfuran-3-yl) acetate.
What is the SMILES notation for (5-acetyl-2-methylfuran-3-yl) acetate?
The canonical SMILES for (5-acetyl-2-methylfuran-3-yl) acetate is CC(=O)Oc1cc(C(C)=O)oc1C.
What is the InChIKey of (5-acetyl-2-methylfuran-3-yl) acetate?
The InChIKey is LOONSMLLHDFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-5(10)8-4-9(6(2)12-8)13-7(3)11/h4H,1-3H3.
What are the key properties of (5-acetyl-2-methylfuran-3-yl) acetate?
(5-acetyl-2-methylfuran-3-yl) acetate has a molecular weight of 182.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methylfuran-3-yl) acetate is sourced from PubChem (CID 174700084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).