propan-2-yl 2-methoxyacetate

C6H12O3 — CID 542192

IUPACpropan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3
InChIKeyXYXFJNIUUWEUIJ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.58
Rot. Bonds3

About propan-2-yl 2-methoxyacetate

propan-2-yl 2-methoxyacetate (PubChem CID 542192) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is propan-2-yl 2-methoxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-methoxyacetate
PubChem CID542192
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namepropan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3
InChIKeyXYXFJNIUUWEUIJ-UHFFFAOYSA-N
XLogP0.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methoxyacetate?
The IUPAC name of propan-2-yl 2-methoxyacetate (CID 542192) is propan-2-yl 2-methoxyacetate.
What is the SMILES notation for propan-2-yl 2-methoxyacetate?
The canonical SMILES for propan-2-yl 2-methoxyacetate is COCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-methoxyacetate?
The InChIKey is XYXFJNIUUWEUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(2)9-6(7)4-8-3/h5H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-methoxyacetate?
propan-2-yl 2-methoxyacetate has a molecular weight of 132.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methoxyacetate is sourced from PubChem (CID 542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).