bromo-triheptyl-hexyl-λ5-phosphane

C27H58BrP — CID 140528130

IUPACbromo-triheptyl-hexyl-λ5-phosphane
SMILESCCCCCCCP(Br)(CCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C27H58BrP/c1-5-9-13-17-21-25-29(28,24-20-16-12-8-4,26-22-18-14-10-6-2)27-23-19-15-11-7-3/h5-27H2,1-4H3
InChIKeyHXBVPMBKSRXXSC-UHFFFAOYSA-N
MW493.64 g/mol
LogP11.34
Rot. Bonds23

About bromo-triheptyl-hexyl-λ5-phosphane

bromo-triheptyl-hexyl-λ5-phosphane (PubChem CID 140528130) has the molecular formula C27H58BrP and a molecular weight of 493.64 g/mol. Its IUPAC name is bromo-triheptyl-hexyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-triheptyl-hexyl-λ5-phosphane
PubChem CID140528130
Molecular FormulaC27H58BrP
Molecular Weight493.64 g/mol
Exact Mass492.35
IUPAC Namebromo-triheptyl-hexyl-λ5-phosphane
SMILESCCCCCCCP(Br)(CCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C27H58BrP/c1-5-9-13-17-21-25-29(28,24-20-16-12-8-4,26-22-18-14-10-6-2)27-23-19-15-11-7-3/h5-27H2,1-4H3
InChIKeyHXBVPMBKSRXXSC-UHFFFAOYSA-N
XLogP11.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.64
LogP ≤ 511.34
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-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-triheptyl-hexyl-λ5-phosphane?
The IUPAC name of bromo-triheptyl-hexyl-λ5-phosphane (CID 140528130) is bromo-triheptyl-hexyl-λ5-phosphane.
What is the SMILES notation for bromo-triheptyl-hexyl-λ5-phosphane?
The canonical SMILES for bromo-triheptyl-hexyl-λ5-phosphane is CCCCCCCP(Br)(CCCCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of bromo-triheptyl-hexyl-λ5-phosphane?
The InChIKey is HXBVPMBKSRXXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58BrP/c1-5-9-13-17-21-25-29(28,24-20-16-12-8-4,26-22-18-14-10-6-2)27-23-19-15-11-7-3/h5-27H2,1-4H3.
What are the key properties of bromo-triheptyl-hexyl-λ5-phosphane?
bromo-triheptyl-hexyl-λ5-phosphane has a molecular weight of 493.64 g/mol, XLogP of 11.34, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-triheptyl-hexyl-λ5-phosphane is sourced from PubChem (CID 140528130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).