6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

C9H12O4 — CID 70622271

IUPAC6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESCCCC1OC(=O)C2CC(=O)OC12
InChIInChI=1S/C9H12O4/c1-2-3-6-8-5(9(11)12-6)4-7(10)13-8/h5-6,8H,2-4H2,1H3
InChIKeyZJVUXCJHGQHRHR-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.64
Rot. Bonds2

About 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione

6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (PubChem CID 70622271) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.

Molecular Properties

Compound Name6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
PubChem CID70622271
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
SMILESCCCC1OC(=O)C2CC(=O)OC12
InChIInChI=1S/C9H12O4/c1-2-3-6-8-5(9(11)12-6)4-7(10)13-8/h5-6,8H,2-4H2,1H3
InChIKeyZJVUXCJHGQHRHR-UHFFFAOYSA-N
XLogP0.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione with MolForge

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Related Compounds

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione
CID 101515910
(3S,3aR,6R,6aS)-6-Hydroxymethyl-3-undecyl-tetrahydro-furo[3,4-b]furan-2,4-dione
CID 44276098
(3R,3aR,6R,6aS)-6-butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 101821092
6-(2,5-dioxooxolan-3-yl)-4-methyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyran-1,3-dione
CID 198055
Asperochrin E
CID 146682590
(2R,3aS,6R,6aR)-2-hydroxy-2-(1-hydroxyethyl)-6-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4-one
CID 146682591
(3aS,4S,6aS)-4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 11219009
5-{1-[(3-Methyl-pentyl)oxy]propyl}tetrahydro-[3,3'-bifuran]-2,2'(3h,3'h)-dione
CID 154926309
Dihydrocanadensolide
CID 10998327
6-Butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 14635158
(3aS,6S,6aR)-6-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
CID 102167162
(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
CID 134844320

Frequently Asked Questions

What is the IUPAC name of 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The IUPAC name of 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione (CID 70622271) is 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione.
What is the SMILES notation for 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The canonical SMILES for 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is CCCC1OC(=O)C2CC(=O)OC12.
What is the InChIKey of 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
The InChIKey is ZJVUXCJHGQHRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-2-3-6-8-5(9(11)12-6)4-7(10)13-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione?
6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione is sourced from PubChem (CID 70622271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).