2-(2-ethylhexoxy)acetic acid

C10H20O3 — CID 11651287

IUPAC2-(2-ethylhexoxy)acetic acid
SMILESCCCCC(CC)COCC(=O)O
InChIInChI=1S/C10H20O3/c1-3-5-6-9(4-2)7-13-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyJSKVIEVGEWNVBN-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds8

About 2-(2-ethylhexoxy)acetic acid

2-(2-ethylhexoxy)acetic acid (PubChem CID 11651287) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethylhexoxy)acetic acid
PubChem CID11651287
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-ethylhexoxy)acetic acid
SMILESCCCCC(CC)COCC(=O)O
InChIInChI=1S/C10H20O3/c1-3-5-6-9(4-2)7-13-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyJSKVIEVGEWNVBN-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid
CID 19830333
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
2-(2-ethylhexoxy)ethanethioamide
CID 43128235
2-ethylhexoxymethanol
CID 18783221
acetic acid;2-ethylhexyl acetate
CID 159619780
azane;bis(2-ethylhexyl) hydrogen phosphate;carbonic acid
CID 174232121
CID 88753128
CID 88753128
2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793733
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)acetic acid?
The IUPAC name of 2-(2-ethylhexoxy)acetic acid (CID 11651287) is 2-(2-ethylhexoxy)acetic acid.
What is the SMILES notation for 2-(2-ethylhexoxy)acetic acid?
The canonical SMILES for 2-(2-ethylhexoxy)acetic acid is CCCCC(CC)COCC(=O)O.
What is the InChIKey of 2-(2-ethylhexoxy)acetic acid?
The InChIKey is JSKVIEVGEWNVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-9(4-2)7-13-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethylhexoxy)acetic acid?
2-(2-ethylhexoxy)acetic acid has a molecular weight of 188.27 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)acetic acid is sourced from PubChem (CID 11651287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).