4-butylcyclohexane-1-carboxylic acid

C11H20O2 — CID 2060518

IUPAC4-butylcyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyBALGERHMIXFENA-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.07
Rot. Bonds4

About 4-butylcyclohexane-1-carboxylic acid

4-butylcyclohexane-1-carboxylic acid (PubChem CID 2060518) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-butylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-butylcyclohexane-1-carboxylic acid
PubChem CID2060518
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-butylcyclohexane-1-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyBALGERHMIXFENA-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-butylcyclohexane-1-carboxylic acid (CID 2060518) is 4-butylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-butylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-butylcyclohexane-1-carboxylic acid is CCCCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-butylcyclohexane-1-carboxylic acid?
The InChIKey is BALGERHMIXFENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-butylcyclohexane-1-carboxylic acid?
4-butylcyclohexane-1-carboxylic acid has a molecular weight of 184.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 2060518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).