dicyclohexyl(tetradec-1-ynyl)phosphane

C26H47P — CID 102108656

IUPACdicyclohexyl(tetradec-1-ynyl)phosphane
SMILESCCCCCCCCCCCCC#CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27(25-20-15-13-16-21-25)26-22-17-14-18-23-26/h25-26H,2-18,20-23H2,1H3
InChIKeyJJTOXGWIUZTESJ-UHFFFAOYSA-N
MW390.64 g/mol
LogP9.41
Rot. Bonds12

About dicyclohexyl(tetradec-1-ynyl)phosphane

dicyclohexyl(tetradec-1-ynyl)phosphane (PubChem CID 102108656) has the molecular formula C26H47P and a molecular weight of 390.64 g/mol. Its IUPAC name is dicyclohexyl(tetradec-1-ynyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl(tetradec-1-ynyl)phosphane
PubChem CID102108656
Molecular FormulaC26H47P
Molecular Weight390.64 g/mol
Exact Mass390.34
IUPAC Namedicyclohexyl(tetradec-1-ynyl)phosphane
SMILESCCCCCCCCCCCCC#CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H47P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27(25-20-15-13-16-21-25)26-22-17-14-18-23-26/h25-26H,2-18,20-23H2,1H3
InChIKeyJJTOXGWIUZTESJ-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 59.41
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dodec-1-ynylcycloheptane
CID 11579803
2-butoxyethynyl(dicyclohexyl)phosphane
CID 135083952
henicos-8-yne
CID 22224321
cyclohexyl(diheptyl)phosphane
CID 118892787
(1S)-1-bromo-1-cyclohexylpentadec-2-yn-1-ol
CID 91036149
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
cyclohexyl-dimethyl-tridec-2-ynoxysilane
CID 531368
di(cyclobutyl)-octylphosphane
CID 151646814
9-oct-1-ynyl-9-borabicyclo[3.3.1]nonane
CID 5326197
dicyclohexyl-[[cyclohexyl(hexyl)phosphanyl]methyl]phosphane
CID 143925195
dicyclohexyl(octyl)azanium iodide
CID 17387533

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(tetradec-1-ynyl)phosphane?
The IUPAC name of dicyclohexyl(tetradec-1-ynyl)phosphane (CID 102108656) is dicyclohexyl(tetradec-1-ynyl)phosphane.
What is the SMILES notation for dicyclohexyl(tetradec-1-ynyl)phosphane?
The canonical SMILES for dicyclohexyl(tetradec-1-ynyl)phosphane is CCCCCCCCCCCCC#CP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl(tetradec-1-ynyl)phosphane?
The InChIKey is JJTOXGWIUZTESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27(25-20-15-13-16-21-25)26-22-17-14-18-23-26/h25-26H,2-18,20-23H2,1H3.
What are the key properties of dicyclohexyl(tetradec-1-ynyl)phosphane?
dicyclohexyl(tetradec-1-ynyl)phosphane has a molecular weight of 390.64 g/mol, XLogP of 9.41, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(tetradec-1-ynyl)phosphane is sourced from PubChem (CID 102108656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).