(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate

C11H18O4 — CID 118132262

IUPAC(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1CC1
InChIInChI=1S/C11H18O4/c1-4-11(2,3)10(13)14-7-9(12)15-8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyJJKJGXHZIALJTO-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.67
Rot. Bonds5

About (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate

(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate (PubChem CID 118132262) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
PubChem CID118132262
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1CC1
InChIInChI=1S/C11H18O4/c1-4-11(2,3)10(13)14-7-9(12)15-8-5-6-8/h8H,4-7H2,1-3H3
InChIKeyJJKJGXHZIALJTO-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 71020817
[2-(2-adamantyloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 59289706
[2-(1,4-dithiocan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 59638258
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
CID 91000884
[2-[(5-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 59326446
[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 67473202
[2-[(2-cyclopentyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 67473178
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 129085463
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
(4-cyanocyclohexyl) 2,2-dimethylbutanoate
CID 58030563
2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
[2-[(5-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 70931651

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate?
The IUPAC name of (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate (CID 118132262) is (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate?
The canonical SMILES for (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1CC1.
What is the InChIKey of (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate?
The InChIKey is JJKJGXHZIALJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-11(2,3)10(13)14-7-9(12)15-8-5-6-8/h8H,4-7H2,1-3H3.
What are the key properties of (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate?
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate has a molecular weight of 214.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 118132262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).