tridodecyl(selanylidene)-λ5-phosphane

C36H75PSe — CID 87250096

IUPACtridodecyl(selanylidene)-λ5-phosphane
SMILESCCCCCCCCCCCCP(=[Se])(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75PSe/c1-4-7-10-13-16-19-22-25-28-31-34-37(38,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyRFSGIHUFJIURDK-UHFFFAOYSA-N
MW617.93 g/mol
LogP13.85
Rot. Bonds33

About tridodecyl(selanylidene)-λ5-phosphane

tridodecyl(selanylidene)-λ5-phosphane (PubChem CID 87250096) has the molecular formula C36H75PSe and a molecular weight of 617.93 g/mol. Its IUPAC name is tridodecyl(selanylidene)-λ5-phosphane.

Molecular Properties

Compound Nametridodecyl(selanylidene)-λ5-phosphane
PubChem CID87250096
Molecular FormulaC36H75PSe
Molecular Weight617.93 g/mol
Exact Mass618.48
IUPAC Nametridodecyl(selanylidene)-λ5-phosphane
SMILESCCCCCCCCCCCCP(=[Se])(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75PSe/c1-4-7-10-13-16-19-22-25-28-31-34-37(38,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKeyRFSGIHUFJIURDK-UHFFFAOYSA-N
XLogP13.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.93
LogP ≤ 513.85
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'}

Analyze tridodecyl(selanylidene)-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutyl-(4,4-dibutyloctyl)-selanylidene-λ5-phosphane
CID 151301893
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341

Frequently Asked Questions

What is the IUPAC name of tridodecyl(selanylidene)-λ5-phosphane?
The IUPAC name of tridodecyl(selanylidene)-λ5-phosphane (CID 87250096) is tridodecyl(selanylidene)-λ5-phosphane.
What is the SMILES notation for tridodecyl(selanylidene)-λ5-phosphane?
The canonical SMILES for tridodecyl(selanylidene)-λ5-phosphane is CCCCCCCCCCCCP(=[Se])(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of tridodecyl(selanylidene)-λ5-phosphane?
The InChIKey is RFSGIHUFJIURDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75PSe/c1-4-7-10-13-16-19-22-25-28-31-34-37(38,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3.
What are the key properties of tridodecyl(selanylidene)-λ5-phosphane?
tridodecyl(selanylidene)-λ5-phosphane has a molecular weight of 617.93 g/mol, XLogP of 13.85, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridodecyl(selanylidene)-λ5-phosphane is sourced from PubChem (CID 87250096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).