1,4-dioxane-2,5-dione;methane

C5H8O4 — CID 160896103

IUPAC1,4-dioxane-2,5-dione;methane
SMILESC.O=C1COC(=O)CO1
InChIInChI=1S/C4H4O4.CH4/c5-3-1-7-4(6)2-8-3;/h1-2H2;1H4
InChIKeySOWWJABRLIXQSS-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.28
Rot. Bonds

About 1,4-dioxane-2,5-dione;methane

1,4-dioxane-2,5-dione;methane (PubChem CID 160896103) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1,4-dioxane-2,5-dione;methane.

Molecular Properties

Compound Name1,4-dioxane-2,5-dione;methane
PubChem CID160896103
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name1,4-dioxane-2,5-dione;methane
SMILESC.O=C1COC(=O)CO1
InChIInChI=1S/C4H4O4.CH4/c5-3-1-7-4(6)2-8-3;/h1-2H2;1H4
InChIKeySOWWJABRLIXQSS-UHFFFAOYSA-N
XLogP-0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,7,10,13-pentaoxacyclopentadecane-2,5,9-trione
CID 568388
1,4,7,10-tetraoxacyclododecan-2-one
CID 533646
1,4-dioxan-2-one;hydrate
CID 141120981
(7R)-7-methyl-1,4-dioxepane-2,5-dione
CID 102007605
oxiran-2-one;propanoic acid
CID 175762754
1,4-dioxacycloheptadecan-2-one
CID 18520727
6,7-dihydro-5H-1,4-dioxonin-3-one
CID 67583928
1,4-dioxepan-2-one;ethane
CID 91368982
(4E)-4-(fluoromethylidene)oxolan-2-one
CID 154552719
5H-1,4-dioxepin-3-one
CID 67378270
6,6-dimethyl-1,4-dioxepan-2-one
CID 10219498
6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione
CID 156907923

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane-2,5-dione;methane?
The IUPAC name of 1,4-dioxane-2,5-dione;methane (CID 160896103) is 1,4-dioxane-2,5-dione;methane.
What is the SMILES notation for 1,4-dioxane-2,5-dione;methane?
The canonical SMILES for 1,4-dioxane-2,5-dione;methane is C.O=C1COC(=O)CO1.
What is the InChIKey of 1,4-dioxane-2,5-dione;methane?
The InChIKey is SOWWJABRLIXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4.CH4/c5-3-1-7-4(6)2-8-3;/h1-2H2;1H4.
What are the key properties of 1,4-dioxane-2,5-dione;methane?
1,4-dioxane-2,5-dione;methane has a molecular weight of 132.12 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane-2,5-dione;methane is sourced from PubChem (CID 160896103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).