1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid

C19H32O2 — CID 19981685

IUPAC1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2(C3CCCCC3)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O2/c20-17(21)19(14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h16H,1-15H2,(H,20,21)
InChIKeyRNDKFKNDOGSHMG-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.55
Rot. Bonds3

About 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid

1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 19981685) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID19981685
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C2(C3CCCCC3)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O2/c20-17(21)19(14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h16H,1-15H2,(H,20,21)
InChIKeyRNDKFKNDOGSHMG-UHFFFAOYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid (CID 19981685) is 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid is O=C(O)C1(C2(C3CCCCC3)CCCCC2)CCCCC1.
What is the InChIKey of 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is RNDKFKNDOGSHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c20-17(21)19(14-8-3-9-15-19)18(12-6-2-7-13-18)16-10-4-1-5-11-16/h16H,1-15H2,(H,20,21).
What are the key properties of 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid?
1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 292.46 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 19981685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).