4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid

C11H22O4 — CID 103490852

IUPAC4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid
SMILESCCOCC(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O4/c1-5-14-8-9(2)15-7-6-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyXQJNCOJSMHTUBW-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.93
Rot. Bonds8

About 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid

4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid (PubChem CID 103490852) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid
PubChem CID103490852
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid
SMILESCCOCC(C)OCCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O4/c1-5-14-8-9(2)15-7-6-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13)
InChIKeyXQJNCOJSMHTUBW-UHFFFAOYSA-N
XLogP1.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
methyl 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylbutanoate
CID 103489912
4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
4-(difluoromethoxy)-2,2-dimethylbutanoic acid
CID 84718616
6-ethoxy-2,2-dimethylheptanoic acid
CID 58051177
2-[2-[2-(2,2-dimethylbutanoyloxy)ethoxy]propoxy]ethyl 2,2-dimethylbutanoate
CID 170541221
ethyl 2-(cyclopropylamino)-4-(1-ethoxypropan-2-yloxy)-2-methylbutanoate
CID 103489923
ethyl 6-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)hexanoate
CID 103489864
(2R)-1,2-diethoxypropane
CID 92973991
2-(1-ethoxypropan-2-yloxy)ethanethiol
CID 103491367
2-(2-chloroethoxy)-1-ethoxypropane
CID 103487889

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid (CID 103490852) is 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid is CCOCC(C)OCCC(C)(C)C(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid?
The InChIKey is XQJNCOJSMHTUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-14-8-9(2)15-7-6-11(3,4)10(12)13/h9H,5-8H2,1-4H3,(H,12,13).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid?
4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid has a molecular weight of 218.29 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 103490852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).