[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate

C13H24O4 — CID 153381894

IUPAC[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)COC(=O)C(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C13H24O4/c1-9(2)8-16-11(15)13(6,7)17-10(14)12(3,4)5/h9H,8H2,1-7H3
InChIKeyARFUUVWQJAWLJK-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.55
Rot. Bonds4

About [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate

[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate (PubChem CID 153381894) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
PubChem CID153381894
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)COC(=O)C(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C13H24O4/c1-9(2)8-16-11(15)13(6,7)17-10(14)12(3,4)5/h9H,8H2,1-7H3
InChIKeyARFUUVWQJAWLJK-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate (CID 153381894) is [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate is CC(C)COC(=O)C(C)(C)OC(=O)C(C)(C)C.
What is the InChIKey of [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is ARFUUVWQJAWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-9(2)8-16-11(15)13(6,7)17-10(14)12(3,4)5/h9H,8H2,1-7H3.
What are the key properties of [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 244.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 153381894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).