bromo-tetra(tetradecyl)-λ5-phosphane

C56H116BrP — CID 140527953

IUPACbromo-tetra(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C56H116BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-58(57,54-50-46-42-38-34-30-26-22-18-14-10-6-2,55-51-47-43-39-35-31-27-23-19-15-11-7-3)56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-56H2,1-4H3
InChIKeySMHXWKBCQDCGPB-UHFFFAOYSA-N
MW900.42 g/mol
LogP22.65
Rot. Bonds52

About bromo-tetra(tetradecyl)-λ5-phosphane

bromo-tetra(tetradecyl)-λ5-phosphane (PubChem CID 140527953) has the molecular formula C56H116BrP and a molecular weight of 900.42 g/mol. Its IUPAC name is bromo-tetra(tetradecyl)-λ5-phosphane.

Molecular Properties

Compound Namebromo-tetra(tetradecyl)-λ5-phosphane
PubChem CID140527953
Molecular FormulaC56H116BrP
Molecular Weight900.42 g/mol
Exact Mass898.80
IUPAC Namebromo-tetra(tetradecyl)-λ5-phosphane
SMILESCCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C56H116BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-58(57,54-50-46-42-38-34-30-26-22-18-14-10-6-2,55-51-47-43-39-35-31-27-23-19-15-11-7-3)56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-56H2,1-4H3
InChIKeySMHXWKBCQDCGPB-UHFFFAOYSA-N
XLogP22.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds52
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.42
LogP ≤ 522.65
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

bromo-hexyl-trioctyl-λ5-phosphane
CID 140528145
bromo-triheptyl-pentyl-λ5-phosphane
CID 140527924
bromo-didodecyl-dipentyl-λ5-phosphane
CID 140527917
bromo-tetra(undecyl)-λ5-phosphane
CID 162511876
bromo-octadecyl-tripentyl-λ5-phosphane
CID 140527939
bromo(tetrahexadecyl)-lambda5-phosphane
CID 14009065
bromo-triheptyl-hexyl-λ5-phosphane
CID 140528130
bromo-dibutyl-dipentyl-λ5-phosphane
CID 140528033
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537
bromo-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700828

Frequently Asked Questions

What is the IUPAC name of bromo-tetra(tetradecyl)-λ5-phosphane?
The IUPAC name of bromo-tetra(tetradecyl)-λ5-phosphane (CID 140527953) is bromo-tetra(tetradecyl)-λ5-phosphane.
What is the SMILES notation for bromo-tetra(tetradecyl)-λ5-phosphane?
The canonical SMILES for bromo-tetra(tetradecyl)-λ5-phosphane is CCCCCCCCCCCCCCP(Br)(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of bromo-tetra(tetradecyl)-λ5-phosphane?
The InChIKey is SMHXWKBCQDCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H116BrP/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-58(57,54-50-46-42-38-34-30-26-22-18-14-10-6-2,55-51-47-43-39-35-31-27-23-19-15-11-7-3)56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-56H2,1-4H3.
What are the key properties of bromo-tetra(tetradecyl)-λ5-phosphane?
bromo-tetra(tetradecyl)-λ5-phosphane has a molecular weight of 900.42 g/mol, XLogP of 22.65, 52 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tetra(tetradecyl)-λ5-phosphane is sourced from PubChem (CID 140527953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).