3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione

C12H14O7 — CID 89382058

IUPAC3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione
SMILESCOC(C1C(=O)OC(=O)C1C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C12H14O7/c1-4-6(11(15)18-9(4)13)8(17-3)7-5(2)10(14)19-12(7)16/h4-8H,1-3H3
InChIKeyZKYBZJVQQUUGOT-UHFFFAOYSA-N
MW270.24 g/mol
LogP-0.33
Rot. Bonds3

About 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione

3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione (PubChem CID 89382058) has the molecular formula C12H14O7 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione
PubChem CID89382058
Molecular FormulaC12H14O7
Molecular Weight270.24 g/mol
Exact Mass270.07
IUPAC Name3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione
SMILESCOC(C1C(=O)OC(=O)C1C)C1C(=O)OC(=O)C1C
InChIInChI=1S/C12H14O7/c1-4-6(11(15)18-9(4)13)8(17-3)7-5(2)10(14)19-12(7)16/h4-8H,1-3H3
InChIKeyZKYBZJVQQUUGOT-UHFFFAOYSA-N
XLogP-0.33
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione (CID 89382058) is 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione is COC(C1C(=O)OC(=O)C1C)C1C(=O)OC(=O)C1C.
What is the InChIKey of 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione?
The InChIKey is ZKYBZJVQQUUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O7/c1-4-6(11(15)18-9(4)13)8(17-3)7-5(2)10(14)19-12(7)16/h4-8H,1-3H3.
What are the key properties of 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione?
3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione has a molecular weight of 270.24 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(4-methyl-2,5-dioxooxolan-3-yl)methyl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 89382058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).