[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate

C14H16O10 — CID 91691975

IUPAC[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C1OC(=O)C(OC(C)=O)=C1OC(C)=O
InChIInChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3
InChIKeyANCAOTMXBIZJPA-UHFFFAOYSA-N
MW344.27 g/mol
LogP-0.26
Rot. Bonds6

About [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate

[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate (PubChem CID 91691975) has the molecular formula C14H16O10 and a molecular weight of 344.27 g/mol. Its IUPAC name is [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate
PubChem CID91691975
Molecular FormulaC14H16O10
Molecular Weight344.27 g/mol
Exact Mass344.07
IUPAC Name[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate
SMILESCC(=O)OCC(OC(C)=O)C1OC(=O)C(OC(C)=O)=C1OC(C)=O
InChIInChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3
InChIKeyANCAOTMXBIZJPA-UHFFFAOYSA-N
XLogP-0.26
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate?
The IUPAC name of [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate (CID 91691975) is [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate.
What is the SMILES notation for [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate?
The canonical SMILES for [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate is CC(=O)OCC(OC(C)=O)C1OC(=O)C(OC(C)=O)=C1OC(C)=O.
What is the InChIKey of [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate?
The InChIKey is ANCAOTMXBIZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O10/c1-6(15)20-5-10(21-7(2)16)11-12(22-8(3)17)13(14(19)24-11)23-9(4)18/h10-11H,5H2,1-4H3.
What are the key properties of [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate?
[2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate has a molecular weight of 344.27 g/mol, XLogP of -0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-2-(3,4-diacetyloxy-5-oxo-2H-furan-2-yl)ethyl] acetate is sourced from PubChem (CID 91691975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).