5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine

C8H10O4 — CID 13275526

IUPAC5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
SMILESC1=C(C2=COCOC2)COCO1
InChIInChI=1S/C8H10O4/c1-7(2-10-5-9-1)8-3-11-6-12-4-8/h1,3H,2,4-6H2
InChIKeyLWHGMTJTHROFIQ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.76
Rot. Bonds1

About 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine

5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine (PubChem CID 13275526) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine.

Molecular Properties

Compound Name5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
PubChem CID13275526
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine
SMILESC1=C(C2=COCOC2)COCO1
InChIInChI=1S/C8H10O4/c1-7(2-10-5-9-1)8-3-11-6-12-4-8/h1,3H,2,4-6H2
InChIKeyLWHGMTJTHROFIQ-UHFFFAOYSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4H-1,3-dioxin-5-yl prop-2-enoate
CID 168866481
8-methyl-6,7-dihydro-4H-1,3-benzodioxine
CID 89384807
4-prop-1-enyl-1,3-dioxole
CID 141171884
4-[(Z)-prop-1-enyl]-1,3-dioxole
CID 126669496
1,3-dioxol-4-ylboronic acid
CID 22362287
8,8-dimethyl-4H-cyclohepta[d][1,3]dioxine
CID 170194792
3-(1,3-dioxol-4-yl)-1,3-thiazolidine
CID 54283019
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
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
3,5,13,15-tetraoxatricyclo[15.3.1.17,11]docosa-1(21),7(22),8,10,17,19-hexaene
CID 24777755
2H-pyran-3,4,5-triol
CID 19689120
5-(1,3-dioxan-5-ylidenemethylidene)-1,3-dioxane
CID 102474298

Frequently Asked Questions

What is the IUPAC name of 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine?
The IUPAC name of 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine (CID 13275526) is 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine.
What is the SMILES notation for 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine?
The canonical SMILES for 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine is C1=C(C2=COCOC2)COCO1.
What is the InChIKey of 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine?
The InChIKey is LWHGMTJTHROFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-7(2-10-5-9-1)8-3-11-6-12-4-8/h1,3H,2,4-6H2.
What are the key properties of 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine?
5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine has a molecular weight of 170.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4H-1,3-dioxin-5-yl)-4H-1,3-dioxine is sourced from PubChem (CID 13275526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).