2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one

C10H12O3 — CID 10954121

IUPAC2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1C1CCOC1O2
InChIInChI=1S/C10H12O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h6,10H,1-5H2
InChIKeyOWJGVTKZLSDERS-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds

About 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one

2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one (PubChem CID 10954121) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one.

Molecular Properties

Compound Name2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
PubChem CID10954121
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1C1CCOC1O2
InChIInChI=1S/C10H12O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h6,10H,1-5H2
InChIKeyOWJGVTKZLSDERS-UHFFFAOYSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The IUPAC name of 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one (CID 10954121) is 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one.
What is the SMILES notation for 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The canonical SMILES for 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one is O=C1CCCC2=C1C1CCOC1O2.
What is the InChIKey of 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The InChIKey is OWJGVTKZLSDERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h6,10H,1-5H2.
What are the key properties of 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one has a molecular weight of 180.20 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one is sourced from PubChem (CID 10954121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).