(2-methoxy-2-oxoethyl) 2-methylpropanoate

C7H12O4 — CID 18740014

IUPAC(2-methoxy-2-oxoethyl) 2-methylpropanoate
SMILESCOC(=O)COC(=O)C(C)C
InChIInChI=1S/C7H12O4/c1-5(2)7(9)11-4-6(8)10-3/h5H,4H2,1-3H3
InChIKeyMACRNXLRDYCHCO-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.36
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 2-methylpropanoate

(2-methoxy-2-oxoethyl) 2-methylpropanoate (PubChem CID 18740014) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-methylpropanoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-methylpropanoate
PubChem CID18740014
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2-methoxy-2-oxoethyl) 2-methylpropanoate
SMILESCOC(=O)COC(=O)C(C)C
InChIInChI=1S/C7H12O4/c1-5(2)7(9)11-4-6(8)10-3/h5H,4H2,1-3H3
InChIKeyMACRNXLRDYCHCO-UHFFFAOYSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-methylpropanoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-methylpropanoate (CID 18740014) is (2-methoxy-2-oxoethyl) 2-methylpropanoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-methylpropanoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-methylpropanoate is COC(=O)COC(=O)C(C)C.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-methylpropanoate?
The InChIKey is MACRNXLRDYCHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(2)7(9)11-4-6(8)10-3/h5H,4H2,1-3H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-methylpropanoate?
(2-methoxy-2-oxoethyl) 2-methylpropanoate has a molecular weight of 160.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-methylpropanoate is sourced from PubChem (CID 18740014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).