2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid

C9H18O4 — CID 79425713

IUPAC2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
SMILESCCC(C)(CCOCCO)C(=O)O
InChIInChI=1S/C9H18O4/c1-3-9(2,8(11)12)4-6-13-7-5-10/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyWNMMQUMFWBGYIL-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.89
Rot. Bonds7

About 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid

2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid (PubChem CID 79425713) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
PubChem CID79425713
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid
SMILESCCC(C)(CCOCCO)C(=O)O
InChIInChI=1S/C9H18O4/c1-3-9(2,8(11)12)4-6-13-7-5-10/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeyWNMMQUMFWBGYIL-UHFFFAOYSA-N
XLogP0.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-methyl-4-(2-methylpropoxy)butanoic acid
CID 106454883
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
4-(1-amino-2-methylpropan-2-yl)oxy-2-ethyl-2-methylbutanoic acid
CID 87061140
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-ethyl-2,7,7-trimethyloctanoic acid
CID 139673893
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
2-[4-[3,3-bis(2-hydroxyethoxymethyl)pentoxy]-2-(2-hydroxyethoxymethyl)-2-methylbutoxy]ethanol
CID 54284266
2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
CID 62740267

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid?
The IUPAC name of 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid (CID 79425713) is 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid.
What is the SMILES notation for 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid?
The canonical SMILES for 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid is CCC(C)(CCOCCO)C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid?
The InChIKey is WNMMQUMFWBGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-9(2,8(11)12)4-6-13-7-5-10/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid?
2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid has a molecular weight of 190.24 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-hydroxyethoxy)-2-methylbutanoic acid is sourced from PubChem (CID 79425713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).