bromo-octadecyl-tripentyl-λ5-phosphane

C33H70BrP — CID 140527939

IUPACbromo-octadecyl-tripentyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C33H70BrP/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-29-33-35(34,30-26-10-6-2,31-27-11-7-3)32-28-12-8-4/h5-33H2,1-4H3
InChIKeyNNNREQSRSMTKAQ-UHFFFAOYSA-N
MW577.80 g/mol
LogP13.68
Rot. Bonds29

About bromo-octadecyl-tripentyl-λ5-phosphane

bromo-octadecyl-tripentyl-λ5-phosphane (PubChem CID 140527939) has the molecular formula C33H70BrP and a molecular weight of 577.80 g/mol. Its IUPAC name is bromo-octadecyl-tripentyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-octadecyl-tripentyl-λ5-phosphane
PubChem CID140527939
Molecular FormulaC33H70BrP
Molecular Weight577.80 g/mol
Exact Mass576.44
IUPAC Namebromo-octadecyl-tripentyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C33H70BrP/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-29-33-35(34,30-26-10-6-2,31-27-11-7-3)32-28-12-8-4/h5-33H2,1-4H3
InChIKeyNNNREQSRSMTKAQ-UHFFFAOYSA-N
XLogP13.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.80
LogP ≤ 513.68
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-didodecyl-dipentyl-λ5-phosphane
CID 140527917
bromo-tetra(undecyl)-λ5-phosphane
CID 162511876
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-octadecyl-tripentyl-λ5-phosphane?
The IUPAC name of bromo-octadecyl-tripentyl-λ5-phosphane (CID 140527939) is bromo-octadecyl-tripentyl-λ5-phosphane.
What is the SMILES notation for bromo-octadecyl-tripentyl-λ5-phosphane?
The canonical SMILES for bromo-octadecyl-tripentyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCP(Br)(CCCCC)(CCCCC)CCCCC.
What is the InChIKey of bromo-octadecyl-tripentyl-λ5-phosphane?
The InChIKey is NNNREQSRSMTKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H70BrP/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-29-33-35(34,30-26-10-6-2,31-27-11-7-3)32-28-12-8-4/h5-33H2,1-4H3.
What are the key properties of bromo-octadecyl-tripentyl-λ5-phosphane?
bromo-octadecyl-tripentyl-λ5-phosphane has a molecular weight of 577.80 g/mol, XLogP of 13.68, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-octadecyl-tripentyl-λ5-phosphane is sourced from PubChem (CID 140527939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).