1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

C8H10O4 — CID 543128

IUPAC1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCOC1OC(=O)C2CC(=O)CC12
InChIInChI=1S/C8H10O4/c1-11-8-6-3-4(9)2-5(6)7(10)12-8/h5-6,8H,2-3H2,1H3
InChIKeyJEEWTKPAYWGGHD-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.11
Rot. Bonds1

About 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione

1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (PubChem CID 543128) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.

Molecular Properties

Compound Name1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
PubChem CID543128
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
SMILESCOC1OC(=O)C2CC(=O)CC12
InChIInChI=1S/C8H10O4/c1-11-8-6-3-4(9)2-5(6)7(10)12-8/h5-6,8H,2-3H2,1H3
InChIKeyJEEWTKPAYWGGHD-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Oxabicyclo[3.3.0]octane-2,7-dione
CID 543141
(3aR,6aS)-1-methoxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 15933477
ethyl (1S,3aR,6S,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149470
3-Oxabicyclo[3.3.0]octan-2-one, 4,7,7-tris(methoxy)-
CID 566262
(3aR,6S,6aS)-6-methyl-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 15627441
(3aS,6aR)-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione
CID 60032897
Ethyl 2-(4-methyl-1,3-dioxetan-2-yl)-4-oxocyclopentane-1-carboxylate
CID 70317393
(3aS,6aR)-3-methoxy-1,3,3a,4,5,6a-hexahydrocyclopenta[c]furan-6-one
CID 15934583
1-Methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-carbaldehyde
CID 23269155
ethyl (1S,3aR,6S,6aS)-1-ethoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25148414
ethyl (1S,3aR,6R,6aS)-1-ethoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25148415
ethyl (1S,3aR,6R,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149471

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The IUPAC name of 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione (CID 543128) is 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione.
What is the SMILES notation for 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The canonical SMILES for 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is COC1OC(=O)C2CC(=O)CC12.
What is the InChIKey of 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
The InChIKey is JEEWTKPAYWGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-11-8-6-3-4(9)2-5(6)7(10)12-8/h5-6,8H,2-3H2,1H3.
What are the key properties of 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione?
1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione has a molecular weight of 170.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3a,4,6,6a-tetrahydro-1H-cyclopenta[c]furan-3,5-dione is sourced from PubChem (CID 543128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).