4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione

C10H8O4 — CID 154020948

IUPAC4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione
SMILESCC1OC(=O)c2cccc(c2)C(=O)O1
InChIInChI=1S/C10H8O4/c1-6-13-9(11)7-3-2-4-8(5-7)10(12)14-6/h2-6H,1H3
InChIKeyIGCRJTFRRCJGCF-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.36
Rot. Bonds

About 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione

4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione (PubChem CID 154020948) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione.

Molecular Properties

Compound Name4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione
PubChem CID154020948
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione
SMILESCC1OC(=O)c2cccc(c2)C(=O)O1
InChIInChI=1S/C10H8O4/c1-6-13-9(11)7-3-2-4-8(5-7)10(12)14-6/h2-6H,1H3
InChIKeyIGCRJTFRRCJGCF-UHFFFAOYSA-N
XLogP1.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione?
The IUPAC name of 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione (CID 154020948) is 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione.
What is the SMILES notation for 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione?
The canonical SMILES for 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione is CC1OC(=O)c2cccc(c2)C(=O)O1.
What is the InChIKey of 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione?
The InChIKey is IGCRJTFRRCJGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-6-13-9(11)7-3-2-4-8(5-7)10(12)14-6/h2-6H,1H3.
What are the key properties of 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione?
4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione has a molecular weight of 192.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-dioxabicyclo[5.3.1]undeca-1(11),7,9-triene-2,6-dione is sourced from PubChem (CID 154020948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).