4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid

C19H33O2P — CID 123163154

IUPAC4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H33O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-18H,1-14H2,(H,20,21)
InChIKeyMKNMFNRDUTWCEB-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.78
Rot. Bonds4

About 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid

4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid (PubChem CID 123163154) has the molecular formula C19H33O2P and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid
PubChem CID123163154
Molecular FormulaC19H33O2P
Molecular Weight324.45 g/mol
Exact Mass324.22
IUPAC Name4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C19H33O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-18H,1-14H2,(H,20,21)
InChIKeyMKNMFNRDUTWCEB-UHFFFAOYSA-N
XLogP5.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-dicyclohexylphosphanylcyclohexane-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

propanoic acid;ruthenium;bis(tricyclohexylphosphane)
CID 10974652
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cycloheptanecarboxylic acid;indigane
CID 173230239
CID 53471629
CID 53471629
cyclohexanecarboxylic acid;octahydrate
CID 175413747
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988
cyclopentanecarboxylic acid
CID 18840
lithium;cyclooctanecarboxylic acid;hydride
CID 173424430
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclopropanecarboxylic acid;hydroiodide
CID 67700319

Frequently Asked Questions

What is the IUPAC name of 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid (CID 123163154) is 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid is O=C(O)C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid?
The InChIKey is MKNMFNRDUTWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h15-18H,1-14H2,(H,20,21).
What are the key properties of 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid?
4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclohexylphosphanylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 123163154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).