1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid

C15H26O2 — CID 79428277

IUPAC1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(C2CCCC2)CC1
InChIInChI=1S/C15H26O2/c1-2-5-12-8-10-15(11-9-12,14(16)17)13-6-3-4-7-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyZAZLPZYFJXTVDL-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.24
Rot. Bonds4

About 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid

1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid (PubChem CID 79428277) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
PubChem CID79428277
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)(C2CCCC2)CC1
InChIInChI=1S/C15H26O2/c1-2-5-12-8-10-15(11-9-12,14(16)17)13-6-3-4-7-13/h12-13H,2-11H2,1H3,(H,16,17)
InChIKeyZAZLPZYFJXTVDL-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid (CID 79428277) is 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is ZAZLPZYFJXTVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-5-12-8-10-15(11-9-12,14(16)17)13-6-3-4-7-13/h12-13H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid?
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79428277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).