[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate

C16H22O8 — CID 59456178

IUPAC[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1COC2C(OC(=O)CCC(C)=O)COC12
InChIInChI=1S/C16H22O8/c1-9(17)3-5-13(19)23-11-7-21-16-12(8-22-15(11)16)24-14(20)6-4-10(2)18/h11-12,15-16H,3-8H2,1-2H3
InChIKeyPGKUAPLSUUXZJF-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.35
Rot. Bonds8

About [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate

[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate (PubChem CID 59456178) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
PubChem CID59456178
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Name[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
SMILESCC(=O)CCC(=O)OC1COC2C(OC(=O)CCC(C)=O)COC12
InChIInChI=1S/C16H22O8/c1-9(17)3-5-13(19)23-11-7-21-16-12(8-22-15(11)16)24-14(20)6-4-10(2)18/h11-12,15-16H,3-8H2,1-2H3
InChIKeyPGKUAPLSUUXZJF-UHFFFAOYSA-N
XLogP0.35
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate?
The IUPAC name of [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate (CID 59456178) is [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate?
The canonical SMILES for [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate is CC(=O)CCC(=O)OC1COC2C(OC(=O)CCC(C)=O)COC12.
What is the InChIKey of [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate?
The InChIKey is PGKUAPLSUUXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-9(17)3-5-13(19)23-11-7-21-16-12(8-22-15(11)16)24-14(20)6-4-10(2)18/h11-12,15-16H,3-8H2,1-2H3.
What are the key properties of [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate?
[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate has a molecular weight of 342.34 g/mol, XLogP of 0.35, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 59456178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).