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

C11H14O2 — CID 86089785

IUPAC4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESCC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C11H14O2/c1-7-2-8-3-12-5-10(8)11-6-13-4-9(7)11/h8H,2-6H2,1H3
InChIKeyMGDYQWDRHIDEMW-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds

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

4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (PubChem CID 86089785) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
PubChem CID86089785
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESCC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C11H14O2/c1-7-2-8-3-12-5-10(8)11-6-13-4-9(7)11/h8H,2-6H2,1H3
InChIKeyMGDYQWDRHIDEMW-UHFFFAOYSA-N
XLogP1.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (CID 86089785) is 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is CC1=C2COCC2=C2COCC2C1.
What is the InChIKey of 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The InChIKey is MGDYQWDRHIDEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7-2-8-3-12-5-10(8)11-6-13-4-9(7)11/h8H,2-6H2,1H3.
What are the key properties of 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran has a molecular weight of 178.23 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 86089785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).