5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane

C9H12O4 — CID 102474298

IUPAC5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane
SMILESC(=C1COCOC1)=C1COCOC1
InChIInChI=1S/C9H12O4/c1(8-2-10-6-11-3-8)9-4-12-7-13-5-9/h2-7H2
InChIKeyHNWCGNJFNCXHOQ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.45
Rot. Bonds

About 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane

5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane (PubChem CID 102474298) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane.

Molecular Properties

Compound Name5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane
PubChem CID102474298
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane
SMILESC(=C1COCOC1)=C1COCOC1
InChIInChI=1S/C9H12O4/c1(8-2-10-6-11-3-8)9-4-12-7-13-5-9/h2-7H2
InChIKeyHNWCGNJFNCXHOQ-UHFFFAOYSA-N
XLogP0.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8,10,17,19-tetraoxatetracyclo[19.2.2.23,6.212,15]nonacosa-1(23),3(29),4,6(28),12(27),13,15(26),21,24-nonaene
CID 56650866
formaldehyde;hydron;1,3,5-trioxane
CID 159664170
3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene
CID 24777755
12-methylidene-1,10-dioxa-4,7-dithiacyclotridecane
CID 102220840
3-methylideneoxolane
CID 11815817
1,3,6,8-tetraoxecane
CID 19993864
5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
CID 13275526
6-hydroxy-1,3-dioxepan-5-one
CID 24977583
N,N-dimethylmethanamine;1,3-dioxetane
CID 66862955
ethenylidenecyclopentane
CID 13208429
1,3-dioxane;formaldehyde
CID 143804327
3-methyl-5-methylidene-2H-pyran
CID 23558492

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane?
The IUPAC name of 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane (CID 102474298) is 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane.
What is the SMILES notation for 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane?
The canonical SMILES for 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane is C(=C1COCOC1)=C1COCOC1.
What is the InChIKey of 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane?
The InChIKey is HNWCGNJFNCXHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1(8-2-10-6-11-3-8)9-4-12-7-13-5-9/h2-7H2.
What are the key properties of 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane?
5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane has a molecular weight of 184.19 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane is sourced from PubChem (CID 102474298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).