2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole

C12H14O4 — CID 10922085

IUPAC2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole
SMILESCC1(C)Oc2cc3c(cc2O1)OC(C)(C)O3
InChIInChI=1S/C12H14O4/c1-11(2)13-7-5-9-10(6-8(7)14-11)16-12(3,4)15-9/h5-6H,1-4H3
InChIKeyVBLVGORCSZWNOH-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.70
Rot. Bonds

About 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole

2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole (PubChem CID 10922085) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole
PubChem CID10922085
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole
SMILESCC1(C)Oc2cc3c(cc2O1)OC(C)(C)O3
InChIInChI=1S/C12H14O4/c1-11(2)13-7-5-9-10(6-8(7)14-11)16-12(3,4)15-9/h5-6H,1-4H3
InChIKeyVBLVGORCSZWNOH-UHFFFAOYSA-N
XLogP2.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole?
The IUPAC name of 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole (CID 10922085) is 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole.
What is the SMILES notation for 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole?
The canonical SMILES for 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole is CC1(C)Oc2cc3c(cc2O1)OC(C)(C)O3.
What is the InChIKey of 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole?
The InChIKey is VBLVGORCSZWNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-11(2)13-7-5-9-10(6-8(7)14-11)16-12(3,4)15-9/h5-6H,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole?
2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole has a molecular weight of 222.24 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxole is sourced from PubChem (CID 10922085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).