4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C6H8O4 — CID 141190397

IUPAC4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESO=C1CC2OCOCC2O1
InChIInChI=1S/C6H8O4/c7-6-1-4-5(10-6)2-8-3-9-4/h4-5H,1-3H2
InChIKeyDYZKXEJHHMYXHI-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.33
Rot. Bonds

About 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 141190397) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID141190397
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESO=C1CC2OCOCC2O1
InChIInChI=1S/C6H8O4/c7-6-1-4-5(10-6)2-8-3-9-4/h4-5H,1-3H2
InChIKeyDYZKXEJHHMYXHI-UHFFFAOYSA-N
XLogP-0.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
2-phenyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 14654084
7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130151867
(4aR,7R,7aR)-7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130926096
(3aR,11aR)-3a,4,7,8,11,11a-hexahydro-[1,3]dioxolo[4,5-c][1,6]dioxecine-6,9-dione
CID 101027581
(1R,3S,7R,10S,12R)-12-phenyl-2,6,11,13-tetraoxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 11185375
(1R,3R,7R,9R,11S)-11-phenyl-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-5-one
CID 24895717
(3aS,5R,7aR)-5-methyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
CID 10997278
3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11665410
(1R,12R)-3,10,13,15-tetraoxabicyclo[10.3.0]pentadecane-4,9-dione
CID 101027582
(4aS,6R,7aS)-6-methoxy-4a,7a-dihydro-4H-furo[3,2-d][1,3]dioxin-7-one
CID 59895852
(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
CID 101268349

Frequently Asked Questions

What is the IUPAC name of 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 141190397) is 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is O=C1CC2OCOCC2O1.
What is the InChIKey of 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is DYZKXEJHHMYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-6-1-4-5(10-6)2-8-3-9-4/h4-5H,1-3H2.
What are the key properties of 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 144.13 g/mol, XLogP of -0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 141190397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).