2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid

C13H26O4 — CID 114993210

IUPAC2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid
SMILESCCOCCOC(CC)(CC(C)CC)C(=O)O
InChIInChI=1S/C13H26O4/c1-5-11(4)10-13(6-2,12(14)15)17-9-8-16-7-3/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyKTHKLJCQWFZFBZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.71
Rot. Bonds10

About 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid

2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid (PubChem CID 114993210) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid
PubChem CID114993210
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid
SMILESCCOCCOC(CC)(CC(C)CC)C(=O)O
InChIInChI=1S/C13H26O4/c1-5-11(4)10-13(6-2,12(14)15)17-9-8-16-7-3/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyKTHKLJCQWFZFBZ-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
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-(3-methoxypropoxy)-4-methylhexanoic acid
CID 114993208
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-[2-(3-ethoxypropanoylamino)acetyl]oxy-2-ethylbutanoic acid
CID 121320947
3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-ethyl-2-methylpentane
CID 90397567
2-(2-chloroethoxy)-2-ethylbutanoic acid
CID 83226256
3-ethoxy-3-ethyl-6-methyloctan-4-one
CID 116747200
2,2,4-trimethylhexanoic acid
CID 15564208
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
2-amino-2-(2-ethoxyethoxy)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 87307730
2-[2-(2-ethoxyethoxy)ethoxy]-2-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-oxoethyl]butanedioic acid
CID 175340096
2-decoxy-2-ethylbutanoic acid
CID 138578040

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid?
The IUPAC name of 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid (CID 114993210) is 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid is CCOCCOC(CC)(CC(C)CC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid?
The InChIKey is KTHKLJCQWFZFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-5-11(4)10-13(6-2,12(14)15)17-9-8-16-7-3/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid?
2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid has a molecular weight of 246.35 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-2-ethyl-4-methylhexanoic acid is sourced from PubChem (CID 114993210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).