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

C15H26O5 — CID 22973491

IUPAC[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)C(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C15H26O5/c1-9(11(16)14(3,4)5)19-12(17)10(2)20-13(18)15(6,7)8/h9-10H,1-8H3
InChIKeyYUOOXEGZOFYOSJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.51
Rot. Bonds4

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

[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate (PubChem CID 22973491) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate
PubChem CID22973491
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)C(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C15H26O5/c1-9(11(16)14(3,4)5)19-12(17)10(2)20-13(18)15(6,7)8/h9-10H,1-8H3
InChIKeyYUOOXEGZOFYOSJ-UHFFFAOYSA-N
XLogP2.51
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

Propanoic acid, 2,2-dimethyl-, 1-methyl-2-(1-methylethoxy)-2-oxoethyl ester
CID 117790952
(1S)-1-Methyl-2-(1-methylethoxy)-2-oxoethyl 2,2-dimethylpropanoate
CID 121317744
(4,4-Dimethyl-3-oxopentan-2-yl) acetate
CID 19830586
(4,4-Dimethyl-2-oxopentyl) acetate
CID 57708336
2-Methyl-1-(1,1-dimethylethyl)-2-methylpropanoic acid, 1,3-propanediyl ester
CID 91753768
Diglycolic acid, ethyl 2,4,4-trimethylpentyl ester
CID 91693607
Diglycolic acid, propyl 2,4,4-trimethylpentyl ester
CID 91693631
Diglycolic acid, isohexyl 2-pentyl ester
CID 91698560
2,2-Dimethyl-propionic acid 3,3-dimethyl-2-oxo-butyl ester
CID 10035882
[(2S)-1-methoxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639930
(4-Methyl-3-oxopentan-2-yl) 2,2-dimethylpropanoate
CID 89004642
(2-Methoxy-2-oxoethyl) 4,4-dimethyl-3-oxopentanoate
CID 10059151

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate (CID 22973491) is [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate is CC(OC(=O)C(C)(C)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] 2,2-dimethylpropanoate?
The InChIKey is YUOOXEGZOFYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-9(11(16)14(3,4)5)19-12(17)10(2)20-13(18)15(6,7)8/h9-10H,1-8H3.
What are the key properties of [1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate?
[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 286.37 g/mol, XLogP of 2.51, 4 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] 2,2-dimethylpropanoate is sourced from PubChem (CID 22973491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).