cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane

C18H36P2 — CID 90057473

IUPACcyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
SMILESCP(CCCCP(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36P2/c1-19(17-11-5-3-6-12-17)15-9-10-16-20(2)18-13-7-4-8-14-18/h17-18H,3-16H2,1-2H3
InChIKeyRKFPJFAGAMNSSI-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.66
Rot. Bonds7

About cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane

cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane (PubChem CID 90057473) has the molecular formula C18H36P2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane.

Molecular Properties

Compound Namecyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
PubChem CID90057473
Molecular FormulaC18H36P2
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Namecyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane
SMILESCP(CCCCP(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36P2/c1-19(17-11-5-3-6-12-17)15-9-10-16-20(2)18-13-7-4-8-14-18/h17-18H,3-16H2,1-2H3
InChIKeyRKFPJFAGAMNSSI-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.66
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane?
The IUPAC name of cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane (CID 90057473) is cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane.
What is the SMILES notation for cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane?
The canonical SMILES for cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane is CP(CCCCP(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane?
The InChIKey is RKFPJFAGAMNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36P2/c1-19(17-11-5-3-6-12-17)15-9-10-16-20(2)18-13-7-4-8-14-18/h17-18H,3-16H2,1-2H3.
What are the key properties of cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane?
cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane has a molecular weight of 314.43 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[cyclohexyl(methyl)phosphanyl]butyl]-methylphosphane is sourced from PubChem (CID 90057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).