(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one

C10H10O3 — CID 10931993

IUPAC(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1[C@@H]1C=CO[C@@H]1O2
InChIInChI=1S/C10H10O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h4-6,10H,1-3H2/t6-,10+/m0/s1
InChIKeyLSBKLWPVGBGDSQ-QUBYGPBYSA-N
MW178.19 g/mol
LogP1.51
Rot. Bonds

About (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one

(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one (PubChem CID 10931993) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one.

Molecular Properties

Compound Name(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one
PubChem CID10931993
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one
SMILESO=C1CCCC2=C1[C@@H]1C=CO[C@@H]1O2
InChIInChI=1S/C10H10O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h4-6,10H,1-3H2/t6-,10+/m0/s1
InChIKeyLSBKLWPVGBGDSQ-QUBYGPBYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one?
The IUPAC name of (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one (CID 10931993) is (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one.
What is the SMILES notation for (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one?
The canonical SMILES for (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one is O=C1CCCC2=C1[C@@H]1C=CO[C@@H]1O2.
What is the InChIKey of (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one?
The InChIKey is LSBKLWPVGBGDSQ-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-2-1-3-8-9(7)6-4-5-12-10(6)13-8/h4-6,10H,1-3H2/t6-,10+/m0/s1.
What are the key properties of (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one?
(3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one has a molecular weight of 178.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-5,6,7,8b-tetrahydro-3aH-furo[2,3-b][1]benzofuran-8-one is sourced from PubChem (CID 10931993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).