6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione

C8H10O4 — CID 546194

IUPAC6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESCCC12OC(=O)CC1CC(=O)O2
InChIInChI=1S/C8H10O4/c1-2-8-5(3-6(9)11-8)4-7(10)12-8/h5H,2-4H2,1H3
InChIKeyJVCVSQUBUBLCSE-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.60
Rot. Bonds1

About 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione

6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione (PubChem CID 546194) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione.

Molecular Properties

Compound Name6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
PubChem CID546194
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
SMILESCCC12OC(=O)CC1CC(=O)O2
InChIInChI=1S/C8H10O4/c1-2-8-5(3-6(9)11-8)4-7(10)12-8/h5H,2-4H2,1H3
InChIKeyJVCVSQUBUBLCSE-UHFFFAOYSA-N
XLogP0.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

Furo[2,3-b]furan-2,5(3H,4H)-dione, dihydro-6a-methyl-
CID 289590
6a-propan-2-yl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 101918878
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
3a,6a-Dimethyldihydrofuro[2,3-b]furan-2,5(3H,4H)-dione
CID 15557423
Ethyl 2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)acetate
CID 118544513
ethyl 2-[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
CID 15547140
ethyl 2-[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]acetate
CID 101165792
6a-propyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 101677678
(3aS,6aR)-6a-(2-oxopropyl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 102496597
2-(2-Ethyl-2-hydroxy-5-oxooxolan-3-yl)acetic acid
CID 129926028

Frequently Asked Questions

What is the IUPAC name of 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The IUPAC name of 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione (CID 546194) is 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione.
What is the SMILES notation for 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The canonical SMILES for 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione is CCC12OC(=O)CC1CC(=O)O2.
What is the InChIKey of 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
The InChIKey is JVCVSQUBUBLCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-8-5(3-6(9)11-8)4-7(10)12-8/h5H,2-4H2,1H3.
What are the key properties of 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione?
6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione has a molecular weight of 170.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-ethyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione is sourced from PubChem (CID 546194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).