bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate

C11H10O9 — CID 170364795

IUPACbis(2,5-dioxooxolan-3-yl)methyl methyl carbonate
SMILESCOC(=O)OC(C1CC(=O)OC1=O)C1CC(=O)OC1=O
InChIInChI=1S/C11H10O9/c1-17-11(16)20-8(4-2-6(12)18-9(4)14)5-3-7(13)19-10(5)15/h4-5,8H,2-3H2,1H3
InChIKeyPCJCYIMQZKYOHY-UHFFFAOYSA-N
MW286.19 g/mol
LogP-0.68
Rot. Bonds3

About bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate

bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate (PubChem CID 170364795) has the molecular formula C11H10O9 and a molecular weight of 286.19 g/mol. Its IUPAC name is bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate.

Molecular Properties

Compound Namebis(2,5-dioxooxolan-3-yl)methyl methyl carbonate
PubChem CID170364795
Molecular FormulaC11H10O9
Molecular Weight286.19 g/mol
Exact Mass286.03
IUPAC Namebis(2,5-dioxooxolan-3-yl)methyl methyl carbonate
SMILESCOC(=O)OC(C1CC(=O)OC1=O)C1CC(=O)OC1=O
InChIInChI=1S/C11H10O9/c1-17-11(16)20-8(4-2-6(12)18-9(4)14)5-3-7(13)19-10(5)15/h4-5,8H,2-3H2,1H3
InChIKeyPCJCYIMQZKYOHY-UHFFFAOYSA-N
XLogP-0.68
TPSA122.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate?
The IUPAC name of bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate (CID 170364795) is bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate.
What is the SMILES notation for bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate?
The canonical SMILES for bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate is COC(=O)OC(C1CC(=O)OC1=O)C1CC(=O)OC1=O.
What is the InChIKey of bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate?
The InChIKey is PCJCYIMQZKYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O9/c1-17-11(16)20-8(4-2-6(12)18-9(4)14)5-3-7(13)19-10(5)15/h4-5,8H,2-3H2,1H3.
What are the key properties of bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate?
bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate has a molecular weight of 286.19 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dioxooxolan-3-yl)methyl methyl carbonate is sourced from PubChem (CID 170364795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).