3,6-dimethyl-2H-furo[3,2-b]furan-5-one

C8H8O3 — CID 145331546

IUPAC3,6-dimethyl-2H-furo[3,2-b]furan-5-one
SMILESCC1=C2OC(=O)C(C)=C2OC1
InChIInChI=1S/C8H8O3/c1-4-3-10-7-5(2)8(9)11-6(4)7/h3H2,1-2H3
InChIKeyYNAIZJDSIZUIIO-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.12
Rot. Bonds

About 3,6-dimethyl-2H-furo[3,2-b]furan-5-one

3,6-dimethyl-2H-furo[3,2-b]furan-5-one (PubChem CID 145331546) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3,6-dimethyl-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name3,6-dimethyl-2H-furo[3,2-b]furan-5-one
PubChem CID145331546
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3,6-dimethyl-2H-furo[3,2-b]furan-5-one
SMILESCC1=C2OC(=O)C(C)=C2OC1
InChIInChI=1S/C8H8O3/c1-4-3-10-7-5(2)8(9)11-6(4)7/h3H2,1-2H3
InChIKeyYNAIZJDSIZUIIO-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sudiupjztjljro-utcjrwhesa-
CID 10606975
(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
CID 102166722
tert-butyl (2Z)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10610942
methyl (2Z)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10631804
tert-butyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10729602
ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10846851
3-methoxy-4-methyl-2H-furan-5-one
CID 11815368
3,6-Dimethylfuro[3,2-b]furan-2,5-dione
CID 68026772
5,9-Dimethyl-3,7,11-trioxatricyclo[6.3.0.02,6]undeca-1,5,8-triene-4,10-dione
CID 89503576
(2E)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)propanal
CID 144740933
6-Methylfuro[3,2-b]furan-2,5-dione
CID 145551036
4-Ethoxy-3-methyl-5-methylidenefuran-2-one
CID 10606974

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2H-furo[3,2-b]furan-5-one?
The IUPAC name of 3,6-dimethyl-2H-furo[3,2-b]furan-5-one (CID 145331546) is 3,6-dimethyl-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for 3,6-dimethyl-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for 3,6-dimethyl-2H-furo[3,2-b]furan-5-one is CC1=C2OC(=O)C(C)=C2OC1.
What is the InChIKey of 3,6-dimethyl-2H-furo[3,2-b]furan-5-one?
The InChIKey is YNAIZJDSIZUIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-3-10-7-5(2)8(9)11-6(4)7/h3H2,1-2H3.
What are the key properties of 3,6-dimethyl-2H-furo[3,2-b]furan-5-one?
3,6-dimethyl-2H-furo[3,2-b]furan-5-one has a molecular weight of 152.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 145331546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).