2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid

C15H28O2 — CID 107889260

IUPAC2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(C(C)CCC)C1
InChIInChI=1S/C15H28O2/c1-4-6-11(3)14-10-12(7-5-2)8-9-13(14)15(16)17/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyUHUUUHBOVWFOJT-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.34
Rot. Bonds6

About 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid

2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid (PubChem CID 107889260) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
PubChem CID107889260
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(C(C)CCC)C1
InChIInChI=1S/C15H28O2/c1-4-6-11(3)14-10-12(7-5-2)8-9-13(14)15(16)17/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyUHUUUHBOVWFOJT-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentan-2-yl-4-propylcyclohexan-1-ol
CID 107885956
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
(2-pentan-2-yl-4-propylcyclohexyl)methanamine
CID 107889298
2-butan-2-ylcyclobutane-1-carboxylic acid
CID 81008114
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724
4-butylcyclohexane-1,2-dicarboxylic acid
CID 23284163
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 115730377
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020736
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid (CID 107889260) is 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(C(C)CCC)C1.
What is the InChIKey of 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is UHUUUHBOVWFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-11(3)14-10-12(7-5-2)8-9-13(14)15(16)17/h11-14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid?
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 240.39 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 107889260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).