[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

C14H24O6 — CID 121423079

IUPAC[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1(C)COC(C)(O)C1
InChIInChI=1S/C14H24O6/c1-6-12(2,3)11(16)18-7-10(15)20-13(4)8-14(5,17)19-9-13/h17H,6-9H2,1-5H3
InChIKeyQTNNXYIEQXGUSD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.40
Rot. Bonds5

About [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (PubChem CID 121423079) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
PubChem CID121423079
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC1(C)COC(C)(O)C1
InChIInChI=1S/C14H24O6/c1-6-12(2,3)11(16)18-7-10(15)20-13(4)8-14(5,17)19-9-13/h17H,6-9H2,1-5H3
InChIKeyQTNNXYIEQXGUSD-UHFFFAOYSA-N
XLogP1.40
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methane;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 161322097
[2-[(2,2-dimethyl-1,3-dioxan-5-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 71020817
[2-oxo-2-(1-propylcyclopentyl)oxyethyl] 2,2-dimethylbutanoate
CID 58887272
[2-[1-(2-methylbutan-2-yl)cyclohexyl]oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 158067621
2-(2-methyloxiran-2-yl)ethyl 2,2-dimethylbutanoate
CID 23517797
[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[(3,5-dihydroxy-1-adamantyl)oxy]-2-oxoethyl] 2-methylbutanoate
CID 161255801
[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-ethylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2-methylbutanoate
CID 160921526
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
2-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]ethyl 2,2-dimethylbutanoate;[2-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]ethyl 2,2-dimethylbutanoate
CID 157222965
2-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]ethyl 2,2-dimethylbutanoate;[2-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate;2-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]ethyl 2,2-dimethylbutanoate;[2-[2-(1-methylcyclopentyl)oxy-2-oxoethoxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 159452104
[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 3-ethyl-2,2,3-trimethylpentanoate
CID 123644548
[2-oxo-2-[(2,3,6-trimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate
CID 118910067

Frequently Asked Questions

What is the IUPAC name of [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (CID 121423079) is [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC1(C)COC(C)(O)C1.
What is the InChIKey of [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The InChIKey is QTNNXYIEQXGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-6-12(2,3)11(16)18-7-10(15)20-13(4)8-14(5,17)19-9-13/h17H,6-9H2,1-5H3.
What are the key properties of [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
[2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate has a molecular weight of 288.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-hydroxy-3,5-dimethyloxolan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 121423079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).