(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C10H18O4 — CID 12602165

IUPAC(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCCC(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-5-7(9(12)13)6-8(11)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyOVIXQGZZZJERJO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.83
Rot. Bonds4

About (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 12602165) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID12602165
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCCC(CC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-5-7(9(12)13)6-8(11)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyOVIXQGZZZJERJO-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexanoic acid
CID 54311211
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
(2R)-2-ethyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 86635226
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]dodecanoic acid
CID 174448330
(2S,3S)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pentanoic acid
CID 122408523
(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]heptanoic acid
CID 21031299
(2S)-2-(acetamidomethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 58301655
tert-butyl (3R)-3-methylpentanoate
CID 158245009
(2S,4R)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]nonanoic acid
CID 54031872
(2S,4S)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]nonanoic acid
CID 54031873
(2S)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 11482453
CID 123197346
CID 123197346

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 12602165) is (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CCC(CC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is OVIXQGZZZJERJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-7(9(12)13)6-8(11)14-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
(2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 12602165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).