methyl 2-(2,2-dimethylpropoxy)acetate

C8H16O3 — CID 20612486

IUPACmethyl 2-(2,2-dimethylpropoxy)acetate
SMILESCOC(=O)COCC(C)(C)C
InChIInChI=1S/C8H16O3/c1-8(2,3)6-11-5-7(9)10-4/h5-6H2,1-4H3
InChIKeySCIBTHXLEAQRPY-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-(2,2-dimethylpropoxy)acetate

methyl 2-(2,2-dimethylpropoxy)acetate (PubChem CID 20612486) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropoxy)acetate
PubChem CID20612486
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl 2-(2,2-dimethylpropoxy)acetate
SMILESCOC(=O)COCC(C)(C)C
InChIInChI=1S/C8H16O3/c1-8(2,3)6-11-5-7(9)10-4/h5-6H2,1-4H3
InChIKeySCIBTHXLEAQRPY-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2,2-dimethylpropoxy)acetate 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-(2,2-dimethylpropoxy)acetate?
The IUPAC name of methyl 2-(2,2-dimethylpropoxy)acetate (CID 20612486) is methyl 2-(2,2-dimethylpropoxy)acetate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropoxy)acetate?
The canonical SMILES for methyl 2-(2,2-dimethylpropoxy)acetate is COC(=O)COCC(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropoxy)acetate?
The InChIKey is SCIBTHXLEAQRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,3)6-11-5-7(9)10-4/h5-6H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethylpropoxy)acetate?
methyl 2-(2,2-dimethylpropoxy)acetate has a molecular weight of 160.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropoxy)acetate is sourced from PubChem (CID 20612486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).