2-(2-methylpropoxy)propyl 2-methylbutanoate

C12H24O3 — CID 174484897

IUPAC2-(2-methylpropoxy)propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OCC(C)C
InChIInChI=1S/C12H24O3/c1-6-10(4)12(13)15-8-11(5)14-7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyWGUXUWSJLUEAMK-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.64
Rot. Bonds7

About 2-(2-methylpropoxy)propyl 2-methylbutanoate

2-(2-methylpropoxy)propyl 2-methylbutanoate (PubChem CID 174484897) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(2-methylpropoxy)propyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)propyl 2-methylbutanoate
PubChem CID174484897
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-(2-methylpropoxy)propyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCC(C)OCC(C)C
InChIInChI=1S/C12H24O3/c1-6-10(4)12(13)15-8-11(5)14-7-9(2)3/h9-11H,6-8H2,1-5H3
InChIKeyWGUXUWSJLUEAMK-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl 2-methylbutanoate
CID 58444916
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-phosphonooxypropyl 2-methylbutanoate
CID 170143581
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-(2-methylbutanoyloxy)propoxy]propoxy]propyl] 2-methylbutanoate
CID 131979537
2-propylpentyl 2-methylbutanoate
CID 155014190
ethane;ethyl 2-methylbutanoate
CID 144747106
3-(2-methylpropoxy)butanamide
CID 137379799
[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]-[1-(2-methylpropoxy)ethyl]-oxophosphanium
CID 90417029
propyl (2R)-2-methylbutanoate
CID 86306230
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
2-methylbutylperoxymethyl 2-methylbutanoate
CID 157388543

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)propyl 2-methylbutanoate?
The IUPAC name of 2-(2-methylpropoxy)propyl 2-methylbutanoate (CID 174484897) is 2-(2-methylpropoxy)propyl 2-methylbutanoate.
What is the SMILES notation for 2-(2-methylpropoxy)propyl 2-methylbutanoate?
The canonical SMILES for 2-(2-methylpropoxy)propyl 2-methylbutanoate is CCC(C)C(=O)OCC(C)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)propyl 2-methylbutanoate?
The InChIKey is WGUXUWSJLUEAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-6-10(4)12(13)15-8-11(5)14-7-9(2)3/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(2-methylpropoxy)propyl 2-methylbutanoate?
2-(2-methylpropoxy)propyl 2-methylbutanoate has a molecular weight of 216.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)propyl 2-methylbutanoate is sourced from PubChem (CID 174484897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).