2-hydroxy-2-(4-propylcyclohexyl)butanoic acid

C13H24O3 — CID 79304063

IUPAC2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
SMILESCCCC1CCC(C(O)(CC)C(=O)O)CC1
InChIInChI=1S/C13H24O3/c1-3-5-10-6-8-11(9-7-10)13(16,4-2)12(14)15/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyNWABGXVTZJALGS-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.82
Rot. Bonds5

About 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid

2-hydroxy-2-(4-propylcyclohexyl)butanoic acid (PubChem CID 79304063) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
PubChem CID79304063
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
SMILESCCCC1CCC(C(O)(CC)C(=O)O)CC1
InChIInChI=1S/C13H24O3/c1-3-5-10-6-8-11(9-7-10)13(16,4-2)12(14)15/h10-11,16H,3-9H2,1-2H3,(H,14,15)
InChIKeyNWABGXVTZJALGS-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid?
The IUPAC name of 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid (CID 79304063) is 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid.
What is the SMILES notation for 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid?
The canonical SMILES for 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid is CCCC1CCC(C(O)(CC)C(=O)O)CC1.
What is the InChIKey of 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid?
The InChIKey is NWABGXVTZJALGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-10-6-8-11(9-7-10)13(16,4-2)12(14)15/h10-11,16H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid?
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid has a molecular weight of 228.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-propylcyclohexyl)butanoic acid is sourced from PubChem (CID 79304063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).