[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate

C14H24O5 — CID 126705693

IUPAC[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)C(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C14H24O5/c1-8(2)12(16)19-10(4)13(17)18-9(3)11(15)14(5,6)7/h8-10H,1-7H3
InChIKeyUSPLFQUSSJJYST-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.12
Rot. Bonds5

About [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate

[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate (PubChem CID 126705693) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate
PubChem CID126705693
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)C(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C14H24O5/c1-8(2)12(16)19-10(4)13(17)18-9(3)11(15)14(5,6)7/h8-10H,1-7H3
InChIKeyUSPLFQUSSJJYST-UHFFFAOYSA-N
XLogP2.12
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3,3-dimethylbutan-2-yloxy)-1-oxopropan-2-yl] 2-methylpropanoate
CID 157440334
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[3-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-oxopropyl] 2-acetyloxypropanoate
CID 153317884
5-(4,4-dimethyl-3-oxopentan-2-yl)oxy-4,4,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]hexan-3-one
CID 123158009
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697
(4,4,5-trimethyl-3-oxohexan-2-yl) 2-propan-2-yloxypropanoate
CID 88968507
tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one
CID 159195427
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl] 2-methylpropanoate
CID 153317793
[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] (2S)-2-hydroxypropanoate
CID 58669031
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-1-[(2S)-1-[(2S)-1-[(1S)-1-carboxyethoxy]-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 156757405

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate?
The IUPAC name of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate (CID 126705693) is [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate?
The canonical SMILES for [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate is CC(C)C(=O)OC(C)C(=O)OC(C)C(=O)C(C)(C)C.
What is the InChIKey of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate?
The InChIKey is USPLFQUSSJJYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-8(2)12(16)19-10(4)13(17)18-9(3)11(15)14(5,6)7/h8-10H,1-7H3.
What are the key properties of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate?
[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate has a molecular weight of 272.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate is sourced from PubChem (CID 126705693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).