2-ethyl-2-(4-ethylcyclohexyl)butanoic acid

C14H26O2 — CID 79426228

IUPAC2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
SMILESCCC1CCC(C(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C14H26O2/c1-4-11-7-9-12(10-8-11)14(5-2,6-3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyCYASXBDRRZXAIM-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.09
Rot. Bonds5

About 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid

2-ethyl-2-(4-ethylcyclohexyl)butanoic acid (PubChem CID 79426228) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
PubChem CID79426228
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethyl-2-(4-ethylcyclohexyl)butanoic acid
SMILESCCC1CCC(C(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C14H26O2/c1-4-11-7-9-12(10-8-11)14(5-2,6-3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyCYASXBDRRZXAIM-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid?
The IUPAC name of 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid (CID 79426228) is 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid is CCC1CCC(C(CC)(CC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid?
The InChIKey is CYASXBDRRZXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-11-7-9-12(10-8-11)14(5-2,6-3)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid?
2-ethyl-2-(4-ethylcyclohexyl)butanoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-ethylcyclohexyl)butanoic acid is sourced from PubChem (CID 79426228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).