bromo-methyl-trioctyl-lambda5-phosphane

C25H54BrP — CID 14009537

IUPACbromo-methyl-trioctyl-lambda5-phosphane
SMILESCCCCCCCCP(C)(Br)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H54BrP/c1-5-8-11-14-17-20-23-27(4,26,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3
InChIKeyIWTWODASJDTPKE-UHFFFAOYSA-N
MW465.59 g/mol
LogP10.56
Rot. Bonds21

About bromo-methyl-trioctyl-lambda5-phosphane

bromo-methyl-trioctyl-lambda5-phosphane (PubChem CID 14009537) has the molecular formula C25H54BrP and a molecular weight of 465.59 g/mol. Its IUPAC name is bromo-methyl-trioctyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-methyl-trioctyl-lambda5-phosphane
PubChem CID14009537
Molecular FormulaC25H54BrP
Molecular Weight465.59 g/mol
Exact Mass464.31
IUPAC Namebromo-methyl-trioctyl-lambda5-phosphane
SMILESCCCCCCCCP(C)(Br)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C25H54BrP/c1-5-8-11-14-17-20-23-27(4,26,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3
InChIKeyIWTWODASJDTPKE-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 510.56
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-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
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-octadecyl-tripentyl-λ5-phosphane
CID 140527939
bromo(tetrahexadecyl)-lambda5-phosphane
CID 14009065
bromo-triheptyl-hexyl-λ5-phosphane
CID 140528130
bromo-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700828
bromo-methyl-tripropyl-λ5-phosphane
CID 140527559

Frequently Asked Questions

What is the IUPAC name of bromo-methyl-trioctyl-lambda5-phosphane?
The IUPAC name of bromo-methyl-trioctyl-lambda5-phosphane (CID 14009537) is bromo-methyl-trioctyl-lambda5-phosphane.
What is the SMILES notation for bromo-methyl-trioctyl-lambda5-phosphane?
The canonical SMILES for bromo-methyl-trioctyl-lambda5-phosphane is CCCCCCCCP(C)(Br)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of bromo-methyl-trioctyl-lambda5-phosphane?
The InChIKey is IWTWODASJDTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54BrP/c1-5-8-11-14-17-20-23-27(4,26,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3.
What are the key properties of bromo-methyl-trioctyl-lambda5-phosphane?
bromo-methyl-trioctyl-lambda5-phosphane has a molecular weight of 465.59 g/mol, XLogP of 10.56, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-methyl-trioctyl-lambda5-phosphane is sourced from PubChem (CID 14009537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).