3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione

C10H10O6 — CID 59704221

IUPAC3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
SMILESCC1(C2(C)CC(=O)OC2=O)CC(=O)OC1=O
InChIInChI=1S/C10H10O6/c1-9(3-5(11)15-7(9)13)10(2)4-6(12)16-8(10)14/h3-4H2,1-2H3
InChIKeyFAHYETYMPQTGAZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.05
Rot. Bonds1

About 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione

3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione (PubChem CID 59704221) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
PubChem CID59704221
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
SMILESCC1(C2(C)CC(=O)OC2=O)CC(=O)OC1=O
InChIInChI=1S/C10H10O6/c1-9(3-5(11)15-7(9)13)10(2)4-6(12)16-8(10)14/h3-4H2,1-2H3
InChIKeyFAHYETYMPQTGAZ-UHFFFAOYSA-N
XLogP-0.05
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?
The IUPAC name of 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione (CID 59704221) is 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione.
What is the SMILES notation for 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?
The canonical SMILES for 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione is CC1(C2(C)CC(=O)OC2=O)CC(=O)OC1=O.
What is the InChIKey of 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?
The InChIKey is FAHYETYMPQTGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-9(3-5(11)15-7(9)13)10(2)4-6(12)16-8(10)14/h3-4H2,1-2H3.
What are the key properties of 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione?
3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione has a molecular weight of 226.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione is sourced from PubChem (CID 59704221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).