1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

C8H8O8 — CID 58502709

IUPAC1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESO=C1CC(=O)OCOC(=O)CC(=O)OCO1
InChIInChI=1S/C8H8O8/c9-5-1-6(10)14-4-16-8(12)2-7(11)15-3-13-5/h1-4H2
InChIKeyROUIUXPCPSCGEX-UHFFFAOYSA-N
MW232.14 g/mol
LogP-1.13
Rot. Bonds

About 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone

1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (PubChem CID 58502709) has the molecular formula C8H8O8 and a molecular weight of 232.14 g/mol. Its IUPAC name is 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.

Molecular Properties

Compound Name1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
PubChem CID58502709
Molecular FormulaC8H8O8
Molecular Weight232.14 g/mol
Exact Mass232.02
IUPAC Name1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
SMILESO=C1CC(=O)OCOC(=O)CC(=O)OCO1
InChIInChI=1S/C8H8O8/c9-5-1-6(10)14-4-16-8(12)2-7(11)15-3-13-5/h1-4H2
InChIKeyROUIUXPCPSCGEX-UHFFFAOYSA-N
XLogP-1.13
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Bis(acetoxymethyl) malonate
CID 59124845
5,5-Difluoro-1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone
CID 58502708
3-O-(ethoxymethyl) 1-O-ethyl propanedioate
CID 12905213
3-[(2-Carboxyacetyl)oxymethoxy]-3-oxopropanoic acid
CID 17818591
3-O-(ethoxymethoxymethyl) 1-O-methyl propanedioate
CID 18728781
3-O-[[3-(hydroxymethoxy)-3-oxopropanoyl]oxymethyl] 1-O-(hydroxymethyl) propanedioate
CID 20599336
3-O-[(3-ethoxy-3-oxopropanoyl)oxymethyl] 1-O-methyl propanedioate
CID 20673070
1-O-(acetyloxymethyl) 3-O-(propanoyloxymethyl) propanedioate
CID 20673071
1-O-ethyl 3-O-(methoxymethyl) propanedioate
CID 20688157
3-O-[(3-methoxy-3-oxopropanoyl)oxymethyl] 1-O-methyl propanedioate
CID 20709905
Methoxymethyl malonate
CID 21912471
Bis(propanoyloxymethyl) propanedioate
CID 22949699

Frequently Asked Questions

What is the IUPAC name of 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The IUPAC name of 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone (CID 58502709) is 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone.
What is the SMILES notation for 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The canonical SMILES for 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is O=C1CC(=O)OCOC(=O)CC(=O)OCO1.
What is the InChIKey of 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
The InChIKey is ROUIUXPCPSCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O8/c9-5-1-6(10)14-4-16-8(12)2-7(11)15-3-13-5/h1-4H2.
What are the key properties of 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone?
1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone has a molecular weight of 232.14 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7,9-tetraoxacyclododecane-4,6,10,12-tetrone is sourced from PubChem (CID 58502709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).