[5-(acetyloxymethyl)furan-2-yl]methyl acetate

C10H12O5 — CID 4077187

IUPAC[5-(acetyloxymethyl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(COC(C)=O)o1
InChIInChI=1S/C10H12O5/c1-7(11)13-5-9-3-4-10(15-9)6-14-8(2)12/h3-4H,5-6H2,1-2H3
InChIKeyUQYIJQXDRBKHBG-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.41
Rot. Bonds4

About [5-(acetyloxymethyl)furan-2-yl]methyl acetate

[5-(acetyloxymethyl)furan-2-yl]methyl acetate (PubChem CID 4077187) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is [5-(acetyloxymethyl)furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(acetyloxymethyl)furan-2-yl]methyl acetate
PubChem CID4077187
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name[5-(acetyloxymethyl)furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(COC(C)=O)o1
InChIInChI=1S/C10H12O5/c1-7(11)13-5-9-3-4-10(15-9)6-14-8(2)12/h3-4H,5-6H2,1-2H3
InChIKeyUQYIJQXDRBKHBG-UHFFFAOYSA-N
XLogP1.41
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(acetyloxymethyl)furan-2-yl]methyl acetate?
The IUPAC name of [5-(acetyloxymethyl)furan-2-yl]methyl acetate (CID 4077187) is [5-(acetyloxymethyl)furan-2-yl]methyl acetate.
What is the SMILES notation for [5-(acetyloxymethyl)furan-2-yl]methyl acetate?
The canonical SMILES for [5-(acetyloxymethyl)furan-2-yl]methyl acetate is CC(=O)OCc1ccc(COC(C)=O)o1.
What is the InChIKey of [5-(acetyloxymethyl)furan-2-yl]methyl acetate?
The InChIKey is UQYIJQXDRBKHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-7(11)13-5-9-3-4-10(15-9)6-14-8(2)12/h3-4H,5-6H2,1-2H3.
What are the key properties of [5-(acetyloxymethyl)furan-2-yl]methyl acetate?
[5-(acetyloxymethyl)furan-2-yl]methyl acetate has a molecular weight of 212.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(acetyloxymethyl)furan-2-yl]methyl acetate is sourced from PubChem (CID 4077187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).