(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran

C10H14O2 — CID 102192028

IUPAC(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran
SMILESC1=C[C@H]2COC[C@@H]2[C@H]2COC[C@@H]12
InChIInChI=1S/C10H14O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-10H,3-6H2/t7-,8+,9-,10-/m0/s1
InChIKeyMWHQWDYCDHRPGA-JXUBOQSCSA-N
MW166.22 g/mol
LogP1.08
Rot. Bonds

About (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran

(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran (PubChem CID 102192028) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran
PubChem CID102192028
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran
SMILESC1=C[C@H]2COC[C@@H]2[C@H]2COC[C@@H]12
InChIInChI=1S/C10H14O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-10H,3-6H2/t7-,8+,9-,10-/m0/s1
InChIKeyMWHQWDYCDHRPGA-JXUBOQSCSA-N
XLogP1.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran (CID 102192028) is (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran is C1=C[C@H]2COC[C@@H]2[C@H]2COC[C@@H]12.
What is the InChIKey of (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran?
The InChIKey is MWHQWDYCDHRPGA-JXUBOQSCSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1-2,7-10H,3-6H2/t7-,8+,9-,10-/m0/s1.
What are the key properties of (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran?
(3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran has a molecular weight of 166.22 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5aS,8aS,8bS)-1,3,3a,5a,6,8,8a,8b-octahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 102192028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).