cyclohexyl(diheptyl)phosphane

C20H41P — CID 118892787

IUPACcyclohexyl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)C1CCCCC1
InChIInChI=1S/C20H41P/c1-3-5-7-9-14-18-21(19-15-10-8-6-4-2)20-16-12-11-13-17-20/h20H,3-19H2,1-2H3
InChIKeyZUKQSMGKOWNSMX-UHFFFAOYSA-N
MW312.52 g/mol
LogP7.74
Rot. Bonds13

About cyclohexyl(diheptyl)phosphane

cyclohexyl(diheptyl)phosphane (PubChem CID 118892787) has the molecular formula C20H41P and a molecular weight of 312.52 g/mol. Its IUPAC name is cyclohexyl(diheptyl)phosphane.

Molecular Properties

Compound Namecyclohexyl(diheptyl)phosphane
PubChem CID118892787
Molecular FormulaC20H41P
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Namecyclohexyl(diheptyl)phosphane
SMILESCCCCCCCP(CCCCCCC)C1CCCCC1
InChIInChI=1S/C20H41P/c1-3-5-7-9-14-18-21(19-15-10-8-6-4-2)20-16-12-11-13-17-20/h20H,3-19H2,1-2H3
InChIKeyZUKQSMGKOWNSMX-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 57.74
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(diheptyl)phosphane 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

cyclohexyl-ethyl-octylphosphane
CID 90109221
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
CID 155183831
cyclopentyl(dipropyl)phosphane
CID 14322919
di(cyclobutyl)-octylphosphane
CID 151646814
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
butyl-cyclopentyl-methylphosphane
CID 155308845
cyclopropane;icosane
CID 162221728
cyclopropane;octadecane
CID 174865519
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
CID 90057473

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(diheptyl)phosphane?
The IUPAC name of cyclohexyl(diheptyl)phosphane (CID 118892787) is cyclohexyl(diheptyl)phosphane.
What is the SMILES notation for cyclohexyl(diheptyl)phosphane?
The canonical SMILES for cyclohexyl(diheptyl)phosphane is CCCCCCCP(CCCCCCC)C1CCCCC1.
What is the InChIKey of cyclohexyl(diheptyl)phosphane?
The InChIKey is ZUKQSMGKOWNSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41P/c1-3-5-7-9-14-18-21(19-15-10-8-6-4-2)20-16-12-11-13-17-20/h20H,3-19H2,1-2H3.
What are the key properties of cyclohexyl(diheptyl)phosphane?
cyclohexyl(diheptyl)phosphane has a molecular weight of 312.52 g/mol, XLogP of 7.74, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(diheptyl)phosphane is sourced from PubChem (CID 118892787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).