1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol

C12H24O8 — CID 158149113

IUPAC1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
SMILESC1COCOC1.OC1COCOCC(O)COCOC1
InChIInChI=1S/C8H16O6.C4H8O2/c9-7-1-11-5-13-3-8(10)4-14-6-12-2-7;1-2-5-4-6-3-1/h7-10H,1-6H2;1-4H2
InChIKeyFUWMXVSSQXYBSX-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.92
Rot. Bonds

About 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol

1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol (PubChem CID 158149113) has the molecular formula C12H24O8 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol.

Molecular Properties

Compound Name1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
PubChem CID158149113
Molecular FormulaC12H24O8
Molecular Weight296.32 g/mol
Exact Mass296.15
IUPAC Name1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
SMILESC1COCOC1.OC1COCOCC(O)COCOC1
InChIInChI=1S/C8H16O6.C4H8O2/c9-7-1-11-5-13-3-8(10)4-14-6-12-2-7;1-2-5-4-6-3-1/h7-10H,1-6H2;1-4H2
InChIKeyFUWMXVSSQXYBSX-UHFFFAOYSA-N
XLogP-0.92
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 54126867
1,3-dioxolane;oxolane
CID 23437621
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CID 160690927
1,5-dioxocan-2-ol
CID 141332060
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CID 101043602
1,3,6-trioxacyclohexadecane
CID 139860202
1,3,6,8-tetraoxecane
CID 19993864
acetyl acetate;1,3-dioxane
CID 174949221
acetic acid;1,4,7,10,13,16-hexaoxacyclononadecan-18-ol
CID 71403215

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol?
The IUPAC name of 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol (CID 158149113) is 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol.
What is the SMILES notation for 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol?
The canonical SMILES for 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol is C1COCOC1.OC1COCOCC(O)COCOC1.
What is the InChIKey of 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol?
The InChIKey is FUWMXVSSQXYBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6.C4H8O2/c9-7-1-11-5-13-3-8(10)4-14-6-12-2-7;1-2-5-4-6-3-1/h7-10H,1-6H2;1-4H2.
What are the key properties of 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol?
1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol has a molecular weight of 296.32 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol is sourced from PubChem (CID 158149113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).