2-ethyl-2-(2-ethylhexoxy)butanoic acid

C14H28O3 — CID 114994393

IUPAC2-ethyl-2-(2-ethylhexoxy)butanoic acid
SMILESCCCCC(CC)COC(CC)(CC)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-9-10-12(6-2)11-17-14(7-3,8-4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyFUGKAUHQPFCZRK-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.86
Rot. Bonds10

About 2-ethyl-2-(2-ethylhexoxy)butanoic acid

2-ethyl-2-(2-ethylhexoxy)butanoic acid (PubChem CID 114994393) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-ethyl-2-(2-ethylhexoxy)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-ethylhexoxy)butanoic acid
PubChem CID114994393
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-ethyl-2-(2-ethylhexoxy)butanoic acid
SMILESCCCCC(CC)COC(CC)(CC)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-9-10-12(6-2)11-17-14(7-3,8-4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyFUGKAUHQPFCZRK-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-(2-ethylhexoxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
acetic acid;2-ethylhexyl acetate
CID 159619780
2-(2-ethylhexoxy)acetic acid
CID 11651287
2-decoxy-2-ethylbutanoic acid
CID 138578040
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
carbonic acid;1-hydroperoxybutane;3-(hydroperoxymethyl)heptane
CID 173419289
2-ethyl-5-(2-ethylhexoxy)-2-(methylamino)pentanoic acid
CID 106806801
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-ethylhexoxy)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-ethylhexoxy)butanoic acid (CID 114994393) is 2-ethyl-2-(2-ethylhexoxy)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-ethylhexoxy)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-ethylhexoxy)butanoic acid is CCCCC(CC)COC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-ethylhexoxy)butanoic acid?
The InChIKey is FUGKAUHQPFCZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-9-10-12(6-2)11-17-14(7-3,8-4)13(15)16/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-ethyl-2-(2-ethylhexoxy)butanoic acid?
2-ethyl-2-(2-ethylhexoxy)butanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-ethylhexoxy)butanoic acid is sourced from PubChem (CID 114994393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).