2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate

C11H20O4 — CID 11020298

IUPAC2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O4/c1-10(2,3)8(12)14-7-15-9(13)11(4,5)6/h7H2,1-6H3
InChIKeyRZJZPHJZUAOKKO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.12
Rot. Bonds2

About 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate

2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate (PubChem CID 11020298) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate
PubChem CID11020298
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOC(=O)C(C)(C)C
InChIInChI=1S/C11H20O4/c1-10(2,3)8(12)14-7-15-9(13)11(4,5)6/h7H2,1-6H3
InChIKeyRZJZPHJZUAOKKO-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate?
The IUPAC name of 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate (CID 11020298) is 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate?
The InChIKey is RZJZPHJZUAOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)8(12)14-7-15-9(13)11(4,5)6/h7H2,1-6H3.
What are the key properties of 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate?
2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate has a molecular weight of 216.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoyloxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 11020298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).