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

C9H16O4 — CID 11424021

IUPAC5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CCCC(=O)O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8(12)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyVZHNAVSRNGLHRD-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.58
Rot. Bonds4

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

5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 11424021) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID11424021
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)CCCC(=O)O
InChIInChI=1S/C9H16O4/c1-9(2,3)13-8(12)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11)
InChIKeyVZHNAVSRNGLHRD-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 11424021) is 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CC(C)(C)OC(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is VZHNAVSRNGLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2,3)13-8(12)6-4-5-7(10)11/h4-6H2,1-3H3,(H,10,11).
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 11424021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).