2,4,4-trimethylpentan-2-yl 2-methoxyacetate

C11H22O3 — CID 141070664

IUPAC2,4,4-trimethylpentan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8-11(4,5)14-9(12)7-13-6/h7-8H2,1-6H3
InChIKeyUJOBUJNJAXOAHT-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds4

About 2,4,4-trimethylpentan-2-yl 2-methoxyacetate

2,4,4-trimethylpentan-2-yl 2-methoxyacetate (PubChem CID 141070664) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,4,4-trimethylpentan-2-yl 2-methoxyacetate.

Molecular Properties

Compound Name2,4,4-trimethylpentan-2-yl 2-methoxyacetate
PubChem CID141070664
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,4,4-trimethylpentan-2-yl 2-methoxyacetate
SMILESCOCC(=O)OC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8-11(4,5)14-9(12)7-13-6/h7-8H2,1-6H3
InChIKeyUJOBUJNJAXOAHT-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylpentan-2-yl 2-methoxyacetate?
The IUPAC name of 2,4,4-trimethylpentan-2-yl 2-methoxyacetate (CID 141070664) is 2,4,4-trimethylpentan-2-yl 2-methoxyacetate.
What is the SMILES notation for 2,4,4-trimethylpentan-2-yl 2-methoxyacetate?
The canonical SMILES for 2,4,4-trimethylpentan-2-yl 2-methoxyacetate is COCC(=O)OC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethylpentan-2-yl 2-methoxyacetate?
The InChIKey is UJOBUJNJAXOAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)8-11(4,5)14-9(12)7-13-6/h7-8H2,1-6H3.
What are the key properties of 2,4,4-trimethylpentan-2-yl 2-methoxyacetate?
2,4,4-trimethylpentan-2-yl 2-methoxyacetate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylpentan-2-yl 2-methoxyacetate is sourced from PubChem (CID 141070664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).