3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran

C11H14O2 — CID 102285343

IUPAC3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran
SMILESCC12CC=C3COCC3=C1COC2
InChIInChI=1S/C11H14O2/c1-11-3-2-8-4-12-5-9(8)10(11)6-13-7-11/h2H,3-7H2,1H3
InChIKeyWGOSAXNLDHAGDJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds

About 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran

3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran (PubChem CID 102285343) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran.

Molecular Properties

Compound Name3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran
PubChem CID102285343
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran
SMILESCC12CC=C3COCC3=C1COC2
InChIInChI=1S/C11H14O2/c1-11-3-2-8-4-12-5-9(8)10(11)6-13-7-11/h2H,3-7H2,1H3
InChIKeyWGOSAXNLDHAGDJ-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 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran?
The IUPAC name of 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran (CID 102285343) is 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran.
What is the SMILES notation for 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran?
The canonical SMILES for 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran is CC12CC=C3COCC3=C1COC2.
What is the InChIKey of 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran?
The InChIKey is WGOSAXNLDHAGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11-3-2-8-4-12-5-9(8)10(11)6-13-7-11/h2H,3-7H2,1H3.
What are the key properties of 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran?
3a-methyl-3,4,6,8-tetrahydro-1H-furo[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 3a-methyl-3,4,6,8-tetrahydro-1H-furo[3,4-e][2]benzofuran is sourced from PubChem (CID 102285343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).