4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

C9H12O4 — CID 135121411

IUPAC4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
SMILESCCC1OC(=O)C2OC(=O)C(C)C12
InChIInChI=1S/C9H12O4/c1-3-5-6-4(2)8(10)13-7(6)9(11)12-5/h4-7H,3H2,1-2H3
InChIKeyWGHJMOKYXFZVNB-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.50
Rot. Bonds1

About 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione (PubChem CID 135121411) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione.

Molecular Properties

Compound Name4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
PubChem CID135121411
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
SMILESCCC1OC(=O)C2OC(=O)C(C)C12
InChIInChI=1S/C9H12O4/c1-3-5-6-4(2)8(10)13-7(6)9(11)12-5/h4-7H,3H2,1-2H3
InChIKeyWGHJMOKYXFZVNB-UHFFFAOYSA-N
XLogP0.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The IUPAC name of 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione (CID 135121411) is 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione.
What is the SMILES notation for 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The canonical SMILES for 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione is CCC1OC(=O)C2OC(=O)C(C)C12.
What is the InChIKey of 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The InChIKey is WGHJMOKYXFZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-5-6-4(2)8(10)13-7(6)9(11)12-5/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione has a molecular weight of 184.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione is sourced from PubChem (CID 135121411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).