2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C11H20O4 — CID 155669877

IUPAC2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCCC(C(=O)O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-6-8(9(12)13)7(2)10(14)15-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyNFTOHRDTTYUPBP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.08
Rot. Bonds4

About 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 155669877) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID155669877
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCCC(C(=O)O)C(C)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20O4/c1-6-8(9(12)13)7(2)10(14)15-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyNFTOHRDTTYUPBP-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Terebic acid
CID 101540
2-(Propan-2-yl)butanedioic acid
CID 227807
4-(Tert-butoxy)-3-methyl-4-oxobutanoic acid
CID 12761464
Terebic acid, (R)-
CID 736106
2,3-Diethylsuccinic acid
CID 142002
Pentanoic acid, 2-tert-butyl-3-methoxycarbonyl-4,4-dimethyl-
CID 89399035
2-Isopropylsuccinic acid 1-ethyl ester
CID 9815473
(2R)-4-tert-Butoxy-2-methyl-4-oxobutanoic acid
CID 10845285
2-Ethyl-3-methylbutanedioic acid
CID 13074836
rac-(1R,2R)-2-[(tert-butoxy)carbonyl]cyclobutane-1-carboxylic acid
CID 124703423
butanedioic acid, 2-ethyl-3-methyl-, (2R,3R)-
CID 642236
(R)-4-tert-butoxy-2-(2-methoxy-2-oxoethyl)-4-oxobutanoic acid
CID 6398857

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 155669877) is 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CCC(C(=O)O)C(C)C(=O)OC(C)(C)C.
What is the InChIKey of 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is NFTOHRDTTYUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-8(9(12)13)7(2)10(14)15-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 155669877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).