cadmium;selane;trioctylphosphane

C24H53CdPSe — CID 174961482

IUPACcadmium;selane;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.[Cd].[SeH2]
InChIInChI=1S/C24H51P.Cd.H2Se/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;;1H2
InChIKeyFVHGVSSAEHAIAY-UHFFFAOYSA-N
MW564.03 g/mol
LogP8.63
Rot. Bonds21

About cadmium;selane;trioctylphosphane

cadmium;selane;trioctylphosphane (PubChem CID 174961482) has the molecular formula C24H53CdPSe and a molecular weight of 564.03 g/mol. Its IUPAC name is cadmium;selane;trioctylphosphane.

Molecular Properties

Compound Namecadmium;selane;trioctylphosphane
PubChem CID174961482
Molecular FormulaC24H53CdPSe
Molecular Weight564.03 g/mol
Exact Mass566.21
IUPAC Namecadmium;selane;trioctylphosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCCCCCC.[Cd].[SeH2]
InChIInChI=1S/C24H51P.Cd.H2Se/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;;1H2
InChIKeyFVHGVSSAEHAIAY-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.03
LogP ≤ 58.63
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

4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
tris(trioctylphosphane);tungsten
CID 158972203
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
bromomethane;trioctylphosphane
CID 175266178
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of cadmium;selane;trioctylphosphane?
The IUPAC name of cadmium;selane;trioctylphosphane (CID 174961482) is cadmium;selane;trioctylphosphane.
What is the SMILES notation for cadmium;selane;trioctylphosphane?
The canonical SMILES for cadmium;selane;trioctylphosphane is CCCCCCCCP(CCCCCCCC)CCCCCCCC.[Cd].[SeH2].
What is the InChIKey of cadmium;selane;trioctylphosphane?
The InChIKey is FVHGVSSAEHAIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51P.Cd.H2Se/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;;/h4-24H2,1-3H3;;1H2.
What are the key properties of cadmium;selane;trioctylphosphane?
cadmium;selane;trioctylphosphane has a molecular weight of 564.03 g/mol, XLogP of 8.63, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;selane;trioctylphosphane is sourced from PubChem (CID 174961482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).