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

C10H12O3 — CID 11073988

IUPAC(3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1[C@H]1CCO[C@H]1O2
InChIInChI=1S/C10H12O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h6,10H,1-5H2/t6-,10+/m1/s1
InChIKeyOWJGVTKZLSDERS-LDWIPMOCSA-N
MW180.20 g/mol
LogP1.39
Rot. Bonds

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

(3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one (PubChem CID 11073988) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one.

Molecular Properties

Compound Name(3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
PubChem CID11073988
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1[C@H]1CCO[C@H]1O2
InChIInChI=1S/C10H12O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h6,10H,1-5H2/t6-,10+/m1/s1
InChIKeyOWJGVTKZLSDERS-LDWIPMOCSA-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

Analyze (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-Dimethyl-1,2,3a,5,7,8b-hexahydrofuro[2,3-b][1]benzofuran-8-one
CID 13528642
2-Ethoxy-6,6-dimethyl-2,3,6,7-tetrahydro-1-benzofuran-4(5h)-one
CID 102239197
4(2H)-Benzofuranone, 2-ethoxy-3,5,6,7-tetrahydro-
CID 11063039
8-oxo-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-2-carbonitrile
CID 15040471
(3aR,8bS)-6,6-dimethyl-3a,5,7,8b-tetrahydrofuro[2,3-b][1]benzofuran-8-one
CID 15091002
(3aS,8bS)-2,2-dimethyl-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-1,8-dione
CID 10082259
(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one
CID 10931993
2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one
CID 10954121
(3aS,8bR)-3a,6,6-trimethyl-2,5,7,8b-tetrahydro-1H-furo[2,3-b][1]benzofuran-8-one
CID 24812581
2-(2-methylpropoxy)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 20534718
(4-oxo-6-propan-2-yl-3,5,6,7-tetrahydro-2H-1-benzofuran-2-yl) acetate
CID 142730225
(6-methyl-4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-2-yl) acetate
CID 142730230

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The IUPAC name of (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one (CID 11073988) is (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one.
What is the SMILES notation for (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The canonical SMILES for (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one is O=C1CCCC2=C1[C@H]1CCO[C@H]1O2.
What is the InChIKey of (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
The InChIKey is OWJGVTKZLSDERS-LDWIPMOCSA-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/t6-,10+/m1/s1.
What are the key properties of (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one?
(3aS,8bR)-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 (3aS,8bR)-2,3a,5,6,7,8b-hexahydro-1H-furo[2,3-b][1]benzofuran-8-one is sourced from PubChem (CID 11073988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).