4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one

C14H10O6 — CID 176683065

IUPAC4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1-c1ccc(-c2oc(=O)oc2C)cc1
InChIInChI=1S/C14H10O6/c1-7-11(19-13(15)17-7)9-3-5-10(6-4-9)12-8(2)18-14(16)20-12/h3-6H,1-2H3
InChIKeyWIMZISZXLLAACG-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.73
Rot. Bonds2

About 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one

4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one (PubChem CID 176683065) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one
PubChem CID176683065
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one
SMILESCc1oc(=O)oc1-c1ccc(-c2oc(=O)oc2C)cc1
InChIInChI=1S/C14H10O6/c1-7-11(19-13(15)17-7)9-3-5-10(6-4-9)12-8(2)18-14(16)20-12/h3-6H,1-2H3
InChIKeyWIMZISZXLLAACG-UHFFFAOYSA-N
XLogP2.73
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one?
The IUPAC name of 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one (CID 176683065) is 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one is Cc1oc(=O)oc1-c1ccc(-c2oc(=O)oc2C)cc1.
What is the InChIKey of 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one?
The InChIKey is WIMZISZXLLAACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c1-7-11(19-13(15)17-7)9-3-5-10(6-4-9)12-8(2)18-14(16)20-12/h3-6H,1-2H3.
What are the key properties of 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one?
4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one has a molecular weight of 274.23 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(5-methyl-2-oxo-1,3-dioxol-4-yl)phenyl]-1,3-dioxol-2-one is sourced from PubChem (CID 176683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).