2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid

C14H26O4 — CID 63074126

IUPAC2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
SMILESCCOC(CCOC1CCCCC1CC)C(=O)O
InChIInChI=1S/C14H26O4/c1-3-11-7-5-6-8-12(11)18-10-9-13(14(15)16)17-4-2/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyXWACVIHEMYQEPX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.85
Rot. Bonds8

About 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid

2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid (PubChem CID 63074126) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
PubChem CID63074126
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
SMILESCCOC(CCOC1CCCCC1CC)C(=O)O
InChIInChI=1S/C14H26O4/c1-3-11-7-5-6-8-12(11)18-10-9-13(14(15)16)17-4-2/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyXWACVIHEMYQEPX-UHFFFAOYSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
2-(ethylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 63041537
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 55145305
[2-(3,3-diethoxypropoxy)cyclohexyl]methanamine
CID 113320306
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutan-1-ol
CID 64804429
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-ethoxy-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 55147081
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid?
The IUPAC name of 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid (CID 63074126) is 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid.
What is the SMILES notation for 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid?
The canonical SMILES for 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid is CCOC(CCOC1CCCCC1CC)C(=O)O.
What is the InChIKey of 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid?
The InChIKey is XWACVIHEMYQEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-3-11-7-5-6-8-12(11)18-10-9-13(14(15)16)17-4-2/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid?
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid is sourced from PubChem (CID 63074126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).