4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C7H10O3 — CID 11073525

IUPAC4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCC1C(=O)OC2OCCC21
InChIInChI=1S/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H3
InChIKeyQCIQCCRPCAWLFZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.54
Rot. Bonds

About 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 11073525) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID11073525
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESCC1C(=O)OC2OCCC21
InChIInChI=1S/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H3
InChIKeyQCIQCCRPCAWLFZ-UHFFFAOYSA-N
XLogP0.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Furo(2,3-b)furan-2(3H)-one, tetrahydro-6a-methyl-
CID 85843
(3aS,6aR)-Tetrahydro-4-methoxyfuro(3,4-b)furan-2(3H)-one
CID 51358358
(3As,6ar)-tetrahydrofuro[2,3-b]furan-2(3h)-one
CID 11829446
Furo[2,3-b]furan-2(3H)-one, tetrahydro-, cis-
CID 11018883
(3AS,4S,6AR)-4-Methoxytetrahydrofuro(3,4-B)furan-2(3H)-one
CID 11600708
Hexahydrofuro[2,3-b]furan-2-one
CID 10964515
(2R,3R,3aR,6aR)-2,3-dimethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
CID 10964748
(5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl) acetate
CID 123405200
(3aS,4R,6aR)-4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one
CID 11571837
3a-Methyl-2,3,4,6a-tetrahydrofuro[2,3-b]furan-5-one
CID 13541559
Dihydrofuro[2,3-b]furan-2,5(3H,4H)-dione
CID 14873929
4-Methoxytetrahydrofuro[3,4-b]furan-2(3H)-one
CID 20816446

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 11073525) is 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is CC1C(=O)OC2OCCC21.
What is the InChIKey of 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is QCIQCCRPCAWLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5-2-3-9-7(5)10-6(4)8/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 142.15 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 11073525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).