dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane

C25H48P2 — CID 143925195

IUPACdicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
SMILESCCCCCCP(CP(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H48P2/c1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25/h23-25H,2-22H2,1H3
InChIKeyVSHMGKLYTPWQKD-UHFFFAOYSA-N
MW410.61 g/mol
LogP9.49
Rot. Bonds10

About dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane

dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane (PubChem CID 143925195) has the molecular formula C25H48P2 and a molecular weight of 410.61 g/mol. Its IUPAC name is dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
PubChem CID143925195
Molecular FormulaC25H48P2
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC Namedicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
SMILESCCCCCCP(CP(C1CCCCC1)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H48P2/c1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25/h23-25H,2-22H2,1H3
InChIKeyVSHMGKLYTPWQKD-UHFFFAOYSA-N
XLogP9.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.61
LogP ≤ 59.49
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'}

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Related Compounds

cyclohexyl(diheptyl)phosphane
CID 118892787
cyclohexyl-ethyl-octylphosphane
CID 90109221
2-[cyclohexyl(heptyl)phosphanyl]-N-(2-dicyclohexylphosphanylethyl)ethanamine
CID 155183831
di(cyclobutyl)-octylphosphane
CID 151646814
cyclopentyl-[[cyclopentyl(propyl)phosphanyl]methyl]-propylphosphane;dihydrobromide
CID 173222488
dicyclohexyl-[3-[cyclohexyl(3-dicyclohexylphosphanylpropyl)phosphanyl]propyl]phosphane
CID 90108196
cyclopentyl(dipropyl)phosphane
CID 14322919
cyclopentyl-octyl-propan-2-ylphosphane
CID 57115413
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
butyl-cyclopentyl-methylphosphane
CID 155308845
dicyclohexyl(6-phosphanylhexyl)phosphane
CID 151871346
dicyclohexyl(tetradec-1-ynyl)phosphane
CID 102108656

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane?
The IUPAC name of dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane (CID 143925195) is dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane.
What is the SMILES notation for dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane?
The canonical SMILES for dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane is CCCCCCP(CP(C1CCCCC1)C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane?
The InChIKey is VSHMGKLYTPWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48P2/c1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25/h23-25H,2-22H2,1H3.
What are the key properties of dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane?
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane has a molecular weight of 410.61 g/mol, XLogP of 9.49, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane is sourced from PubChem (CID 143925195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).