bromo-dibutyl-dipentyl-λ5-phosphane

C18H40BrP — CID 140528033

IUPACbromo-dibutyl-dipentyl-λ5-phosphane
SMILESCCCCCP(Br)(CCCC)(CCCC)CCCCC
InChIInChI=1S/C18H40BrP/c1-5-9-13-17-20(19,15-11-7-3,16-12-8-4)18-14-10-6-2/h5-18H2,1-4H3
InChIKeyVHVRTRDWCROVEE-UHFFFAOYSA-N
MW367.40 g/mol
LogP7.83
Rot. Bonds14

About bromo-dibutyl-dipentyl-λ5-phosphane

bromo-dibutyl-dipentyl-λ5-phosphane (PubChem CID 140528033) has the molecular formula C18H40BrP and a molecular weight of 367.40 g/mol. Its IUPAC name is bromo-dibutyl-dipentyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-dibutyl-dipentyl-λ5-phosphane
PubChem CID140528033
Molecular FormulaC18H40BrP
Molecular Weight367.40 g/mol
Exact Mass366.21
IUPAC Namebromo-dibutyl-dipentyl-λ5-phosphane
SMILESCCCCCP(Br)(CCCC)(CCCC)CCCCC
InChIInChI=1S/C18H40BrP/c1-5-9-13-17-20(19,15-11-7-3,16-12-8-4)18-14-10-6-2/h5-18H2,1-4H3
InChIKeyVHVRTRDWCROVEE-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 57.83
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-octadecyl-tripentyl-λ5-phosphane
CID 140527939
bromo(tetrahexadecyl)-lambda5-phosphane
CID 14009065
bromo-triheptyl-hexyl-λ5-phosphane
CID 140528130
bromo-but-3-enyl-tributyl-λ5-phosphane
CID 139647891
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537

Frequently Asked Questions

What is the IUPAC name of bromo-dibutyl-dipentyl-λ5-phosphane?
The IUPAC name of bromo-dibutyl-dipentyl-λ5-phosphane (CID 140528033) is bromo-dibutyl-dipentyl-λ5-phosphane.
What is the SMILES notation for bromo-dibutyl-dipentyl-λ5-phosphane?
The canonical SMILES for bromo-dibutyl-dipentyl-λ5-phosphane is CCCCCP(Br)(CCCC)(CCCC)CCCCC.
What is the InChIKey of bromo-dibutyl-dipentyl-λ5-phosphane?
The InChIKey is VHVRTRDWCROVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40BrP/c1-5-9-13-17-20(19,15-11-7-3,16-12-8-4)18-14-10-6-2/h5-18H2,1-4H3.
What are the key properties of bromo-dibutyl-dipentyl-λ5-phosphane?
bromo-dibutyl-dipentyl-λ5-phosphane has a molecular weight of 367.40 g/mol, XLogP of 7.83, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-dibutyl-dipentyl-λ5-phosphane is sourced from PubChem (CID 140528033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).