2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid

C10H18O4 — CID 14303036

IUPAC2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
SMILESCCOC(=O)CC(CC(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-14-9(11)6-8(10(12)13)5-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeySHGGEUYOIOWHJU-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.69
Rot. Bonds6

About 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid

2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid (PubChem CID 14303036) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
PubChem CID14303036
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
SMILESCCOC(=O)CC(CC(C)C)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-14-9(11)6-8(10(12)13)5-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,13)
InChIKeySHGGEUYOIOWHJU-UHFFFAOYSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl (2S)-2-(2-methylpropyl)butanedioate
CID 102063986
2-(ethoxycarbonyloxymethyl)-4-methylpentanoic acid
CID 122517226
ethyl (3S)-3,5-dimethylhexanoate
CID 12830074
tetraethyl pentane-1,2,4,5-tetracarboxylate
CID 12576810
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
2-(2-ethoxy-2-oxoethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 87734415
2-(2-ethoxy-2-oxoethyl)-5-methoxy-4-oxopentanoic acid
CID 159443952
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid?
The IUPAC name of 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid (CID 14303036) is 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid is CCOC(=O)CC(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid?
The InChIKey is SHGGEUYOIOWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-14-9(11)6-8(10(12)13)5-7(2)3/h7-8H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid?
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid is sourced from PubChem (CID 14303036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).