6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one

C13H16O6 — CID 11265644

IUPAC6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC2=CC(=O)OC(C)(C)O2)O1
InChIInChI=1S/C13H16O6/c1-12(2)16-8(6-10(14)18-12)5-9-7-11(15)19-13(3,4)17-9/h6-7H,5H2,1-4H3
InChIKeyMUEIVRCRWMWNBM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.76
Rot. Bonds2

About 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 11265644) has the molecular formula C13H16O6 and a molecular weight of 268.26 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID11265644
Molecular FormulaC13H16O6
Molecular Weight268.26 g/mol
Exact Mass268.09
IUPAC Name6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC2=CC(=O)OC(C)(C)O2)O1
InChIInChI=1S/C13H16O6/c1-12(2)16-8(6-10(14)18-12)5-9-7-11(15)19-13(3,4)17-9/h6-7H,5H2,1-4H3
InChIKeyMUEIVRCRWMWNBM-UHFFFAOYSA-N
XLogP1.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 11265644) is 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC2=CC(=O)OC(C)(C)O2)O1.
What is the InChIKey of 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is MUEIVRCRWMWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6/c1-12(2)16-8(6-10(14)18-12)5-9-7-11(15)19-13(3,4)17-9/h6-7H,5H2,1-4H3.
What are the key properties of 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 268.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)methyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 11265644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).