2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid

C14H26O3 — CID 114991724

IUPAC2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(OC(C)(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-6-10-7-8-11(13(15)16)12(9-10)17-14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyXNGGEKFDUJSOGH-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.47
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid

2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid (PubChem CID 114991724) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
PubChem CID114991724
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(OC(C)(C)C)C1
InChIInChI=1S/C14H26O3/c1-5-6-10-7-8-11(13(15)16)12(9-10)17-14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyXNGGEKFDUJSOGH-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylpropan-2-yl)oxy]-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-[(4-propylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54962940
4-ethyl-2-propoxycyclohexane-1-carboxylic acid
CID 114988153
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731
4-butylcyclohexane-1,2-dicarboxylic acid
CID 23284163
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(2-ethylcyclohexyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020736
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114597377
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid (CID 114991724) is 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(OC(C)(C)C)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is XNGGEKFDUJSOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-5-6-10-7-8-11(13(15)16)12(9-10)17-14(2,3)4/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid?
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114991724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).