2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid

C14H26O2 — CID 81020731

IUPAC2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(CC(C)C)C1
InChIInChI=1S/C14H26O2/c1-4-5-11-6-7-13(14(15)16)12(9-11)8-10(2)3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyAKQCXSLWYMJKFZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.95
Rot. Bonds5

About 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid

2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 81020731) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID81020731
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(CC(C)C)C1
InChIInChI=1S/C14H26O2/c1-4-5-11-6-7-13(14(15)16)12(9-11)8-10(2)3/h10-13H,4-9H2,1-3H3,(H,15,16)
InChIKeyAKQCXSLWYMJKFZ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid (CID 81020731) is 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(CC(C)C)C1.
What is the InChIKey of 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is AKQCXSLWYMJKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-11-6-7-13(14(15)16)12(9-11)8-10(2)3/h10-13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid?
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 226.36 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).