[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

C20H34O4 — CID 91180041

IUPAC[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC(C)(OC(=O)COC(=O)C1(CC(C)(C)C)CC1(C)C)C1CC1
InChIInChI=1S/C20H34O4/c1-8-19(7,14-9-10-14)24-15(21)11-23-16(22)20(12-17(2,3)4)13-18(20,5)6/h14H,8-13H2,1-7H3
InChIKeyIZMFYZPVOLPUSH-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.50
Rot. Bonds7

About [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 91180041) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID91180041
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCC(C)(OC(=O)COC(=O)C1(CC(C)(C)C)CC1(C)C)C1CC1
InChIInChI=1S/C20H34O4/c1-8-19(7,14-9-10-14)24-15(21)11-23-16(22)20(12-17(2,3)4)13-18(20,5)6/h14H,8-13H2,1-7H3
InChIKeyIZMFYZPVOLPUSH-UHFFFAOYSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate with MolForge

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Related Compounds

2-cyclohexylbutan-2-yl 2-acetyloxyacetate
CID 123313705
2-hydroxybutyl 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 67761182
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
CID 91000884
cyclohexyloxymethyl (1S)-1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 89192124
2-[2-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 70972573
dibutyl 2-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropanecarbonyl]oxypropanedioate
CID 91555110
(1,2,3,3-tetramethyl-2-bicyclo[2.2.1]heptanyl) 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70888757
2-cyclopentylbutan-2-yl 2-methylpropanoate
CID 59782925
(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 70888803
2-cyclooctylbutan-2-yl acetate
CID 177097469
[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate
CID 91531855
2-cyclohexylbutan-2-yl methylsulfanylformate
CID 91161671

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 91180041) is [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is CCC(C)(OC(=O)COC(=O)C1(CC(C)(C)C)CC1(C)C)C1CC1.
What is the InChIKey of [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is IZMFYZPVOLPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-8-19(7,14-9-10-14)24-15(21)11-23-16(22)20(12-17(2,3)4)13-18(20,5)6/h14H,8-13H2,1-7H3.
What are the key properties of [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate?
[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 91180041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).