chloro(tetrahexadecyl)-λ5-phosphane

C64H132ClP — CID 139758998

IUPACchloro(tetrahexadecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132ClP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyHIUQICOCMXRJLK-UHFFFAOYSA-N
MW968.19 g/mol
LogP25.62
Rot. Bonds60

About chloro(tetrahexadecyl)-λ5-phosphane

chloro(tetrahexadecyl)-λ5-phosphane (PubChem CID 139758998) has the molecular formula C64H132ClP and a molecular weight of 968.19 g/mol. Its IUPAC name is chloro(tetrahexadecyl)-λ5-phosphane.

Molecular Properties

Compound Namechloro(tetrahexadecyl)-λ5-phosphane
PubChem CID139758998
Molecular FormulaC64H132ClP
Molecular Weight968.19 g/mol
Exact Mass966.98
IUPAC Namechloro(tetrahexadecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C64H132ClP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3
InChIKeyHIUQICOCMXRJLK-UHFFFAOYSA-N
XLogP25.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds60
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.19
LogP ≤ 525.62
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

chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane
CID 153404340
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552

Frequently Asked Questions

What is the IUPAC name of chloro(tetrahexadecyl)-λ5-phosphane?
The IUPAC name of chloro(tetrahexadecyl)-λ5-phosphane (CID 139758998) is chloro(tetrahexadecyl)-λ5-phosphane.
What is the SMILES notation for chloro(tetrahexadecyl)-λ5-phosphane?
The canonical SMILES for chloro(tetrahexadecyl)-λ5-phosphane is CCCCCCCCCCCCCCCCP(Cl)(CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of chloro(tetrahexadecyl)-λ5-phosphane?
The InChIKey is HIUQICOCMXRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H132ClP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-66(65,62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3.
What are the key properties of chloro(tetrahexadecyl)-λ5-phosphane?
chloro(tetrahexadecyl)-λ5-phosphane has a molecular weight of 968.19 g/mol, XLogP of 25.62, 60 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(tetrahexadecyl)-λ5-phosphane is sourced from PubChem (CID 139758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).