dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane

C24H51PSe — CID 151301893

IUPACdibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane
SMILESCCCCC(CCCC)(CCCC)CCCP(=[Se])(CCCC)CCCC
InChIInChI=1S/C24H51PSe/c1-6-11-17-24(18-12-7-2,19-13-8-3)20-16-23-25(26,21-14-9-4)22-15-10-5/h6-23H2,1-5H3
InChIKeyOCPGFOVEYNKVNV-UHFFFAOYSA-N
MW449.61 g/mol
LogP9.02
Rot. Bonds19

About dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane

dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane (PubChem CID 151301893) has the molecular formula C24H51PSe and a molecular weight of 449.61 g/mol. Its IUPAC name is dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Namedibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane
PubChem CID151301893
Molecular FormulaC24H51PSe
Molecular Weight449.61 g/mol
Exact Mass450.29
IUPAC Namedibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane
SMILESCCCCC(CCCC)(CCCC)CCCP(=[Se])(CCCC)CCCC
InChIInChI=1S/C24H51PSe/c1-6-11-17-24(18-12-7-2,19-13-8-3)20-16-23-25(26,21-14-9-4)22-15-10-5/h6-23H2,1-5H3
InChIKeyOCPGFOVEYNKVNV-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.61
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tridodecyl(selanylidene)-λ5-phosphane
CID 87250096
10,10-dibutylicosane
CID 151498539
6,6-dipentylundecane
CID 19690398
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
4,4-dibutyloctan-1-ol
CID 58892760
4,4-dipentylnonan-1-amine
CID 88632324
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
5,5-dibutylhexadecane;phosphoric acid
CID 175353536
4,4,9,9-tetrapropyldodecane
CID 140610407

Frequently Asked Questions

What is the IUPAC name of dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane?
The IUPAC name of dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane (CID 151301893) is dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane.
What is the SMILES notation for dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane?
The canonical SMILES for dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane is CCCCC(CCCC)(CCCC)CCCP(=[Se])(CCCC)CCCC.
What is the InChIKey of dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane?
The InChIKey is OCPGFOVEYNKVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51PSe/c1-6-11-17-24(18-12-7-2,19-13-8-3)20-16-23-25(26,21-14-9-4)22-15-10-5/h6-23H2,1-5H3.
What are the key properties of dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane?
dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane has a molecular weight of 449.61 g/mol, XLogP of 9.02, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 151301893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).