CID 11678181

C32H68BClP — CID 11678181

IUPAC—
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[B].[Cl-]
InChIInChI=1S/C32H68P.B.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;;/h5-32H2,1-4H3;;1H/q+1;;/p-1
InChIKeyOINHXFYJMDWLME-UHFFFAOYSA-M
MW530.14 g/mol
LogP9.07
Rot. Bonds28

About CID 11678181

CID 11678181 (PubChem CID 11678181) has the molecular formula C32H68BClP and a molecular weight of 530.14 g/mol.

Molecular Properties

Compound NameCID 11678181
PubChem CID11678181
Molecular FormulaC32H68BClP
Molecular Weight530.14 g/mol
Exact Mass529.48
IUPAC Name—
SMILESCCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[B].[Cl-]
InChIInChI=1S/C32H68P.B.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;;/h5-32H2,1-4H3;;1H/q+1;;/p-1
InChIKeyOINHXFYJMDWLME-UHFFFAOYSA-M
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.14
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triheptyl(nonyl)phosphanium chloride
CID 87778209
dibutyl(didecyl)phosphanium chloride
CID 87777295
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(undecyl)phosphanium
CID 87895668
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
tri(heptadecyl)-pentadecylphosphanium
CID 87810198
tridodecyl(heptyl)phosphanium
CID 87810947
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
trioctyl(undecyl)phosphanium
CID 87776674

Frequently Asked Questions

What is the IUPAC name of CID 11678181?
The IUPAC name of CID 11678181 (CID 11678181) is not available.
What is the SMILES notation for CID 11678181?
The canonical SMILES for CID 11678181 is CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[B].[Cl-].
What is the InChIKey of CID 11678181?
The InChIKey is OINHXFYJMDWLME-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H68P.B.ClH/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;;/h5-32H2,1-4H3;;1H/q+1;;/p-1.
What are the key properties of CID 11678181?
CID 11678181 has a molecular weight of 530.14 g/mol, XLogP of 9.07, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11678181 is sourced from PubChem (CID 11678181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).