3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione

C8H10O4 — CID 15557423

IUPAC3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione
SMILESCC12CC(=O)OC1(C)OC(=O)C2
InChIInChI=1S/C8H10O4/c1-7-3-5(9)11-8(7,2)12-6(10)4-7/h3-4H2,1-2H3
InChIKeyVZJIPCLDHZYSNZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.60
Rot. Bonds

About 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione

3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione (PubChem CID 15557423) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione.

Molecular Properties

Compound Name3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione
PubChem CID15557423
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione
SMILESCC12CC(=O)OC1(C)OC(=O)C2
InChIInChI=1S/C8H10O4/c1-7-3-5(9)11-8(7,2)12-6(10)4-7/h3-4H2,1-2H3
InChIKeyVZJIPCLDHZYSNZ-UHFFFAOYSA-N
XLogP0.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione?
The IUPAC name of 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione (CID 15557423) is 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione.
What is the SMILES notation for 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione?
The canonical SMILES for 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione is CC12CC(=O)OC1(C)OC(=O)C2.
What is the InChIKey of 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione?
The InChIKey is VZJIPCLDHZYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-7-3-5(9)11-8(7,2)12-6(10)4-7/h3-4H2,1-2H3.
What are the key properties of 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione?
3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione has a molecular weight of 170.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-3,4-dihydrofuro[2,3-b]furan-2,5-dione is sourced from PubChem (CID 15557423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).