propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate

C11H16O5 — CID 12040393

IUPACpropan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate
SMILESCC(C)OC(=O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H16O5/c1-7(2)14-9(12)5-8-6-10(13)16-11(3,4)15-8/h6-7H,5H2,1-4H3
InChIKeyHZALMLNYHUBHIR-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.52
Rot. Bonds3

About propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate

propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate (PubChem CID 12040393) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate
PubChem CID12040393
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namepropan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate
SMILESCC(C)OC(=O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H16O5/c1-7(2)14-9(12)5-8-6-10(13)16-11(3,4)15-8/h6-7H,5H2,1-4H3
InChIKeyHZALMLNYHUBHIR-UHFFFAOYSA-N
XLogP1.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate?
The IUPAC name of propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate (CID 12040393) is propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate is CC(C)OC(=O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate?
The InChIKey is HZALMLNYHUBHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-7(2)14-9(12)5-8-6-10(13)16-11(3,4)15-8/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate?
propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate has a molecular weight of 228.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate is sourced from PubChem (CID 12040393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).