2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate

C12H22O5 — CID 91693286

IUPAC2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
SMILESCC(C)COC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOUAMATOUUTZOLD-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.40
Rot. Bonds8

About 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate

2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate (PubChem CID 91693286) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
PubChem CID91693286
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate
SMILESCC(C)COC(=O)COCC(=O)OCC(C)C
InChIInChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOUAMATOUUTZOLD-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The IUPAC name of 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate (CID 91693286) is 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate.
What is the SMILES notation for 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The canonical SMILES for 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate is CC(C)COC(=O)COCC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
The InChIKey is OUAMATOUUTZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-9(2)5-16-11(13)7-15-8-12(14)17-6-10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate?
2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate has a molecular weight of 246.30 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2-(2-methylpropoxy)-2-oxoethoxy]acetate is sourced from PubChem (CID 91693286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).