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

C14H20O2 — CID 102285342

IUPAC4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESCCCCC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C14H20O2/c1-2-3-4-10-5-11-6-15-8-13(11)14-9-16-7-12(10)14/h11H,2-9H2,1H3
InChIKeyWHXAOANHBOWGKZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.85
Rot. Bonds3

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

4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (PubChem CID 102285342) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.

Molecular Properties

Compound Name4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
PubChem CID102285342
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran
SMILESCCCCC1=C2COCC2=C2COCC2C1
InChIInChI=1S/C14H20O2/c1-2-3-4-10-5-11-6-15-8-13(11)14-9-16-7-12(10)14/h11H,2-9H2,1H3
InChIKeyWHXAOANHBOWGKZ-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The IUPAC name of 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran (CID 102285342) is 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran.
What is the SMILES notation for 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The canonical SMILES for 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is CCCCC1=C2COCC2=C2COCC2C1.
What is the InChIKey of 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
The InChIKey is WHXAOANHBOWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-10-5-11-6-15-8-13(11)14-9-16-7-12(10)14/h11H,2-9H2,1H3.
What are the key properties of 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran?
4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran has a molecular weight of 220.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3,5,5a,6,8-hexahydrofuro[3,4-e][2]benzofuran is sourced from PubChem (CID 102285342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).