methyl 2-methyl-2-propanoyloxypropanoate

C8H14O4 — CID 54231226

IUPACmethyl 2-methyl-2-propanoyloxypropanoate
SMILESCCC(=O)OC(C)(C)C(=O)OC
InChIInChI=1S/C8H14O4/c1-5-6(9)12-8(2,3)7(10)11-4/h5H2,1-4H3
InChIKeyVRFVMHZEDOUZTP-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-methyl-2-propanoyloxypropanoate

methyl 2-methyl-2-propanoyloxypropanoate (PubChem CID 54231226) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-methyl-2-propanoyloxypropanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-propanoyloxypropanoate
PubChem CID54231226
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-methyl-2-propanoyloxypropanoate
SMILESCCC(=O)OC(C)(C)C(=O)OC
InChIInChI=1S/C8H14O4/c1-5-6(9)12-8(2,3)7(10)11-4/h5H2,1-4H3
InChIKeyVRFVMHZEDOUZTP-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-propanoyloxypropanoate?
The IUPAC name of methyl 2-methyl-2-propanoyloxypropanoate (CID 54231226) is methyl 2-methyl-2-propanoyloxypropanoate.
What is the SMILES notation for methyl 2-methyl-2-propanoyloxypropanoate?
The canonical SMILES for methyl 2-methyl-2-propanoyloxypropanoate is CCC(=O)OC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-propanoyloxypropanoate?
The InChIKey is VRFVMHZEDOUZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-6(9)12-8(2,3)7(10)11-4/h5H2,1-4H3.
What are the key properties of methyl 2-methyl-2-propanoyloxypropanoate?
methyl 2-methyl-2-propanoyloxypropanoate has a molecular weight of 174.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-propanoyloxypropanoate is sourced from PubChem (CID 54231226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).