methane;3-methylbutan-2-yl 2-methoxyacetate

C11H28O3 — CID 162010174

IUPACmethane;3-methylbutan-2-yl 2-methoxyacetate
SMILESC.C.C.COCC(=O)OC(C)C(C)C
InChIInChI=1S/C8H16O3.3CH4/c1-6(2)7(3)11-8(9)5-10-4;;;/h6-7H,5H2,1-4H3;3*1H4
InChIKeyYTJAPTXDBLAAKR-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.13
Rot. Bonds4

About methane;3-methylbutan-2-yl 2-methoxyacetate

methane;3-methylbutan-2-yl 2-methoxyacetate (PubChem CID 162010174) has the molecular formula C11H28O3 and a molecular weight of 208.34 g/mol. Its IUPAC name is methane;3-methylbutan-2-yl 2-methoxyacetate.

Molecular Properties

Compound Namemethane;3-methylbutan-2-yl 2-methoxyacetate
PubChem CID162010174
Molecular FormulaC11H28O3
Molecular Weight208.34 g/mol
Exact Mass208.20
IUPAC Namemethane;3-methylbutan-2-yl 2-methoxyacetate
SMILESC.C.C.COCC(=O)OC(C)C(C)C
InChIInChI=1S/C8H16O3.3CH4/c1-6(2)7(3)11-8(9)5-10-4;;;/h6-7H,5H2,1-4H3;3*1H4
InChIKeyYTJAPTXDBLAAKR-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;3-methylbutan-2-yl 2-methoxyacetate 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 methane;3-methylbutan-2-yl 2-methoxyacetate?
The IUPAC name of methane;3-methylbutan-2-yl 2-methoxyacetate (CID 162010174) is methane;3-methylbutan-2-yl 2-methoxyacetate.
What is the SMILES notation for methane;3-methylbutan-2-yl 2-methoxyacetate?
The canonical SMILES for methane;3-methylbutan-2-yl 2-methoxyacetate is C.C.C.COCC(=O)OC(C)C(C)C.
What is the InChIKey of methane;3-methylbutan-2-yl 2-methoxyacetate?
The InChIKey is YTJAPTXDBLAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.3CH4/c1-6(2)7(3)11-8(9)5-10-4;;;/h6-7H,5H2,1-4H3;3*1H4.
What are the key properties of methane;3-methylbutan-2-yl 2-methoxyacetate?
methane;3-methylbutan-2-yl 2-methoxyacetate has a molecular weight of 208.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylbutan-2-yl 2-methoxyacetate is sourced from PubChem (CID 162010174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).