[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

C16H30O4 — CID 129085463

IUPAC[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C(C)C
InChIInChI=1S/C16H30O4/c1-8-15(6,7)14(18)19-11-13(17)20-16(9-2,10-3)12(4)5/h12H,8-11H2,1-7H3
InChIKeyYITLYWMBKQSZQY-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.72
Rot. Bonds8

About [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate

[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (PubChem CID 129085463) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
PubChem CID129085463
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C(C)C
InChIInChI=1S/C16H30O4/c1-8-15(6,7)14(18)19-11-13(17)20-16(9-2,10-3)12(4)5/h12H,8-11H2,1-7H3
InChIKeyYITLYWMBKQSZQY-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate with MolForge

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Related Compounds

2-hydroxyprop-2-enyl 2,2-dimethylbutanoate
CID 87159504
[2-(3-methylpent-1-en-4-yn-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate
CID 176748415
[2-(2-cyclopentylbutan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;ethane
CID 91000884
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
[2-[2-(1-ethylcyclopentyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate;[2-[2-(1-methylcyclopentyl)propan-2-yloxy]-2-oxoethyl] 2,2-dimethylbutanoate
CID 90886213
methane;[2-(1-methylcyclohexyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate
CID 161322097
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
iodomethyl 2,2-dimethylbutanoate
CID 14459667
[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-methylpropan-2-yl)oxy]-2-oxoethyl] 2,4,4-trimethyl-2-propan-2-ylpentanoate
CID 123862348
ethyl 2,2-dimethylbutanoate
CID 20744002

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The IUPAC name of [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate (CID 129085463) is [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate.
What is the SMILES notation for [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The canonical SMILES for [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C(C)C.
What is the InChIKey of [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
The InChIKey is YITLYWMBKQSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-8-15(6,7)14(18)19-11-13(17)20-16(9-2,10-3)12(4)5/h12H,8-11H2,1-7H3.
What are the key properties of [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate?
[2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate has a molecular weight of 286.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-2-methylpentan-3-yl)oxy-2-oxoethyl] 2,2-dimethylbutanoate is sourced from PubChem (CID 129085463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).