bromo-didodecyl-dipentyl-λ5-phosphane

C34H72BrP — CID 140527917

IUPACbromo-didodecyl-dipentyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCCCCCCCCC
InChIInChI=1S/C34H72BrP/c1-5-9-13-15-17-19-21-23-25-29-33-36(35,31-27-11-7-3,32-28-12-8-4)34-30-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3
InChIKeyRHCLEEDAMUNRLY-UHFFFAOYSA-N
MW591.83 g/mol
LogP14.07
Rot. Bonds30

About bromo-didodecyl-dipentyl-λ5-phosphane

bromo-didodecyl-dipentyl-λ5-phosphane (PubChem CID 140527917) has the molecular formula C34H72BrP and a molecular weight of 591.83 g/mol. Its IUPAC name is bromo-didodecyl-dipentyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-didodecyl-dipentyl-λ5-phosphane
PubChem CID140527917
Molecular FormulaC34H72BrP
Molecular Weight591.83 g/mol
Exact Mass590.46
IUPAC Namebromo-didodecyl-dipentyl-λ5-phosphane
SMILESCCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCCCCCCCCC
InChIInChI=1S/C34H72BrP/c1-5-9-13-15-17-19-21-23-25-29-33-36(35,31-27-11-7-3,32-28-12-8-4)34-30-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3
InChIKeyRHCLEEDAMUNRLY-UHFFFAOYSA-N
XLogP14.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.83
LogP ≤ 514.07
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-tetra(tetradecyl)-λ5-phosphane
CID 140527953
bromo-hexyl-trioctyl-λ5-phosphane
CID 140528145
bromo-triheptyl-pentyl-λ5-phosphane
CID 140527924
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-didodecyl-dipentyl-λ5-phosphane?
The IUPAC name of bromo-didodecyl-dipentyl-λ5-phosphane (CID 140527917) is bromo-didodecyl-dipentyl-λ5-phosphane.
What is the SMILES notation for bromo-didodecyl-dipentyl-λ5-phosphane?
The canonical SMILES for bromo-didodecyl-dipentyl-λ5-phosphane is CCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCCCCCCCCC.
What is the InChIKey of bromo-didodecyl-dipentyl-λ5-phosphane?
The InChIKey is RHCLEEDAMUNRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72BrP/c1-5-9-13-15-17-19-21-23-25-29-33-36(35,31-27-11-7-3,32-28-12-8-4)34-30-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3.
What are the key properties of bromo-didodecyl-dipentyl-λ5-phosphane?
bromo-didodecyl-dipentyl-λ5-phosphane has a molecular weight of 591.83 g/mol, XLogP of 14.07, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-didodecyl-dipentyl-λ5-phosphane is sourced from PubChem (CID 140527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).