1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran

C10H12O2 — CID 102285341

IUPAC1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1,8H,2-6H2
InChIKeyGRUBXEVZGAWLLH-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.29
Rot. Bonds

About 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran

1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (PubChem CID 102285341) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
PubChem CID102285341
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1,8H,2-6H2
InChIKeyGRUBXEVZGAWLLH-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3a,7a-Tetrahydro-1-benzofuran
CID 17876141
Tetrahydroisobenzofuran
CID 22708525
Tetrahydrofurobenzofuran
CID 68729379
Tetrahydrocyclopenta[c]pyran
CID 70142574
1,3,4a,5,7,7a-Hexahydrofuro[3,4-f][2]benzofuran
CID 10702165
6-(Prop-2-enoxymethyl)-1,3,3a,4-tetrahydro-2-benzofuran
CID 11332995
(5S,5aR)-5-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
CID 25224362
4-Methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
CID 86089785
(8aR,8bR)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran
CID 102258478
3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran
CID 102285343
(8aS,8bS)-1,3,6,8,8a,8b-hexahydrofuro[3,4-e][2]benzofuran
CID 135056941
(1E,8E)-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1,8-diene
CID 139250131

Frequently Asked Questions

What is the IUPAC name of 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (CID 102285341) is 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is C1=C2COCC2=C2COCC2C1.
What is the InChIKey of 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The InChIKey is GRUBXEVZGAWLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-8-4-12-6-10(8)9-5-11-3-7(1)9/h1,8H,2-6H2.
What are the key properties of 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran has a molecular weight of 164.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 102285341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).