(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate

C10H10O8 — CID 1980

IUPAC(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate
SMILESCC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12
InChIInChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3
InChIKeyZOZKYEHVNDEUCO-UHFFFAOYSA-N
MW258.18 g/mol
LogP-1.30
Rot. Bonds2

About (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate

(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate (PubChem CID 1980) has the molecular formula C10H10O8 and a molecular weight of 258.18 g/mol. Its IUPAC name is (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate
PubChem CID1980
Molecular FormulaC10H10O8
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Name(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate
SMILESCC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12
InChIInChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3
InChIKeyZOZKYEHVNDEUCO-UHFFFAOYSA-N
XLogP-1.30
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate?
The IUPAC name of (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate (CID 1980) is (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate.
What is the SMILES notation for (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate?
The canonical SMILES for (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate is CC(=O)OC1C(=O)OC2C(OC(C)=O)C(=O)OC12.
What is the InChIKey of (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate?
The InChIKey is ZOZKYEHVNDEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O8/c1-3(11)15-7-5-6(18-9(7)13)8(10(14)17-5)16-4(2)12/h5-8H,1-2H3.
What are the key properties of (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate?
(6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate has a molecular weight of 258.18 g/mol, XLogP of -1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-2,5-dioxo-3,3a,6,6a-tetrahydrofuro[3,2-b]furan-3-yl) acetate is sourced from PubChem (CID 1980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).