methyl 2-propan-2-yloxyacetate

C6H12O3 — CID 23192059

IUPACmethyl 2-propan-2-yloxyacetate
SMILESCOC(=O)COC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)9-4-6(7)8-3/h5H,4H2,1-3H3
InChIKeyBNXCBYNURXMCTQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-propan-2-yloxyacetate

methyl 2-propan-2-yloxyacetate (PubChem CID 23192059) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is methyl 2-propan-2-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-propan-2-yloxyacetate
PubChem CID23192059
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namemethyl 2-propan-2-yloxyacetate
SMILESCOC(=O)COC(C)C
InChIInChI=1S/C6H12O3/c1-5(2)9-4-6(7)8-3/h5H,4H2,1-3H3
InChIKeyBNXCBYNURXMCTQ-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

Analyze methyl 2-propan-2-yloxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yloxyacetate?
The IUPAC name of methyl 2-propan-2-yloxyacetate (CID 23192059) is methyl 2-propan-2-yloxyacetate.
What is the SMILES notation for methyl 2-propan-2-yloxyacetate?
The canonical SMILES for methyl 2-propan-2-yloxyacetate is COC(=O)COC(C)C.
What is the InChIKey of methyl 2-propan-2-yloxyacetate?
The InChIKey is BNXCBYNURXMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5(2)9-4-6(7)8-3/h5H,4H2,1-3H3.
What are the key properties of methyl 2-propan-2-yloxyacetate?
methyl 2-propan-2-yloxyacetate 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 methyl 2-propan-2-yloxyacetate is sourced from PubChem (CID 23192059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).