6-methoxy-2,2-dimethyl-1,3-dioxin-4-one

C7H10O4 — CID 15327225

IUPAC6-methoxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCOC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(8)4-6(9-3)11-7/h4H,1-3H3
InChIKeyBMWKMGZJWYQEOK-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.78
Rot. Bonds1

About 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one

6-methoxy-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 15327225) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-methoxy-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID15327225
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name6-methoxy-2,2-dimethyl-1,3-dioxin-4-one
SMILESCOC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C7H10O4/c1-7(2)10-5(8)4-6(9-3)11-7/h4H,1-3H3
InChIKeyBMWKMGZJWYQEOK-UHFFFAOYSA-N
XLogP0.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one (CID 15327225) is 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one is COC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is BMWKMGZJWYQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-7(2)10-5(8)4-6(9-3)11-7/h4H,1-3H3.
What are the key properties of 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one?
6-methoxy-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 158.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 15327225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).