bromo-hexyl-trioctyl-λ5-phosphane

C30H64BrP — CID 140528145

IUPACbromo-hexyl-trioctyl-λ5-phosphane
SMILESCCCCCCCCP(Br)(CCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H64BrP/c1-5-9-13-17-20-24-28-32(31,27-23-16-12-8-4,29-25-21-18-14-10-6-2)30-26-22-19-15-11-7-3/h5-30H2,1-4H3
InChIKeyNRAFRRZRBMMSOW-UHFFFAOYSA-N
MW535.72 g/mol
LogP12.51
Rot. Bonds26

About bromo-hexyl-trioctyl-λ5-phosphane

bromo-hexyl-trioctyl-λ5-phosphane (PubChem CID 140528145) has the molecular formula C30H64BrP and a molecular weight of 535.72 g/mol. Its IUPAC name is bromo-hexyl-trioctyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-hexyl-trioctyl-λ5-phosphane
PubChem CID140528145
Molecular FormulaC30H64BrP
Molecular Weight535.72 g/mol
Exact Mass534.39
IUPAC Namebromo-hexyl-trioctyl-λ5-phosphane
SMILESCCCCCCCCP(Br)(CCCCCC)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H64BrP/c1-5-9-13-17-20-24-28-32(31,27-23-16-12-8-4,29-25-21-18-14-10-6-2)30-26-22-19-15-11-7-3/h5-30H2,1-4H3
InChIKeyNRAFRRZRBMMSOW-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.72
LogP ≤ 512.51
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 bromo-hexyl-trioctyl-λ5-phosphane?
The IUPAC name of bromo-hexyl-trioctyl-λ5-phosphane (CID 140528145) is bromo-hexyl-trioctyl-λ5-phosphane.
What is the SMILES notation for bromo-hexyl-trioctyl-λ5-phosphane?
The canonical SMILES for bromo-hexyl-trioctyl-λ5-phosphane is CCCCCCCCP(Br)(CCCCCC)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of bromo-hexyl-trioctyl-λ5-phosphane?
The InChIKey is NRAFRRZRBMMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64BrP/c1-5-9-13-17-20-24-28-32(31,27-23-16-12-8-4,29-25-21-18-14-10-6-2)30-26-22-19-15-11-7-3/h5-30H2,1-4H3.
What are the key properties of bromo-hexyl-trioctyl-λ5-phosphane?
bromo-hexyl-trioctyl-λ5-phosphane has a molecular weight of 535.72 g/mol, XLogP of 12.51, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-hexyl-trioctyl-λ5-phosphane is sourced from PubChem (CID 140528145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).