cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane

C20H41P — CID 67913037

IUPACcyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane
SMILESCCCCCP(C)(C)(C1CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C20H41P/c1-5-6-13-18-21(3,4,19-14-9-7-10-15-19)20(2)16-11-8-12-17-20/h19H,5-18H2,1-4H3
InChIKeyHZUXXUBVQAARKC-UHFFFAOYSA-N
MW312.52 g/mol
LogP7.05
Rot. Bonds6

About cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane

cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane (PubChem CID 67913037) has the molecular formula C20H41P and a molecular weight of 312.52 g/mol. Its IUPAC name is cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane.

Molecular Properties

Compound Namecyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane
PubChem CID67913037
Molecular FormulaC20H41P
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Namecyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane
SMILESCCCCCP(C)(C)(C1CCCCC1)C1(C)CCCCC1
InChIInChI=1S/C20H41P/c1-5-6-13-18-21(3,4,19-14-9-7-10-15-19)20(2)16-11-8-12-17-20/h19H,5-18H2,1-4H3
InChIKeyHZUXXUBVQAARKC-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane?
The IUPAC name of cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane (CID 67913037) is cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane.
What is the SMILES notation for cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane?
The canonical SMILES for cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane is CCCCCP(C)(C)(C1CCCCC1)C1(C)CCCCC1.
What is the InChIKey of cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane?
The InChIKey is HZUXXUBVQAARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41P/c1-5-6-13-18-21(3,4,19-14-9-7-10-15-19)20(2)16-11-8-12-17-20/h19H,5-18H2,1-4H3.
What are the key properties of cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane?
cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane has a molecular weight of 312.52 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-dimethyl-(1-methylcyclohexyl)-pentyl-λ5-phosphane is sourced from PubChem (CID 67913037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).