4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid

C13H24O3 — CID 59036872

IUPAC4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
SMILESCCCC1C(O)C(C(=O)O)CC(C)C1CC
InChIInChI=1S/C13H24O3/c1-4-6-10-9(5-2)8(3)7-11(12(10)14)13(15)16/h8-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyBUOAGXHTPZFMBK-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.53
Rot. Bonds4

About 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid

4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid (PubChem CID 59036872) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
PubChem CID59036872
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid
SMILESCCCC1C(O)C(C(=O)O)CC(C)C1CC
InChIInChI=1S/C13H24O3/c1-4-6-10-9(5-2)8(3)7-11(12(10)14)13(15)16/h8-12,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyBUOAGXHTPZFMBK-UHFFFAOYSA-N
XLogP2.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid (CID 59036872) is 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid is CCCC1C(O)C(C(=O)O)CC(C)C1CC.
What is the InChIKey of 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid?
The InChIKey is BUOAGXHTPZFMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-10-9(5-2)8(3)7-11(12(10)14)13(15)16/h8-12,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid?
4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid has a molecular weight of 228.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-5-methyl-3-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 59036872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).