(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran

C10H12O2 — CID 102258478

IUPAC(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C2COC[C@@H]2[C@H]2COCC2=C1
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,9-10H,3-6H2/t9-,10-/m0/s1
InChIKeyGXYBZZWWGXQYAE-UWVGGRQHSA-N
MW164.20 g/mol
LogP1.15
Rot. Bonds

About (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran

(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran (PubChem CID 102258478) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran
PubChem CID102258478
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C2COC[C@@H]2[C@H]2COCC2=C1
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,9-10H,3-6H2/t9-,10-/m0/s1
InChIKeyGXYBZZWWGXQYAE-UWVGGRQHSA-N
XLogP1.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran (CID 102258478) is (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran is C1=C2COC[C@@H]2[C@H]2COCC2=C1.
What is the InChIKey of (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran?
The InChIKey is GXYBZZWWGXQYAE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,9-10H,3-6H2/t9-,10-/m0/s1.
What are the key properties of (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran?
(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran has a molecular weight of 164.20 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 102258478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).