3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C11H20O4 — CID 15631255

IUPAC3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9(14)7-11(4,5)6-8(12)13/h6-7H2,1-5H3,(H,12,13)
InChIKeyVZGKSQFJNXGNHH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.22
Rot. Bonds4

About 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 15631255) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID15631255
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9(14)7-11(4,5)6-8(12)13/h6-7H2,1-5H3,(H,12,13)
InChIKeyVZGKSQFJNXGNHH-UHFFFAOYSA-N
XLogP2.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764
tert-butyl 5-bromo-3,3,5-trimethylhexanoate
CID 166705206
tert-butyl 5-bromo-3,3-dimethylpentanoate
CID 167718322
tert-butyl 3,3-dimethylbutanoate;methane
CID 161060184
2,2-dihydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91245565
tert-butyl 4-hydrazinyl-3,3-dimethylbutanoate
CID 87168072
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
3-acetyloxycarbonyl-3-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 135221063
tert-butyl 5-cyano-3,3-dimethylpentanoate
CID 174438691
tert-butyl 3,3,5-trimethylheptanoate
CID 90721899
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
tert-butyl 3-(tert-butylamino)-3-methylbutanoate
CID 173368452

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 15631255) is 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)OC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is VZGKSQFJNXGNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)15-9(14)7-11(4,5)6-8(12)13/h6-7H2,1-5H3,(H,12,13).
What are the key properties of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 15631255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).