tributyl-chloro-(2-ethylhexyl)-λ5-phosphane

C20H44ClP — CID 13070079

IUPACtributyl-chloro-(2-ethylhexyl)-λ5-phosphane
SMILESCCCCC(CC)CP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C20H44ClP/c1-6-11-15-20(10-5)19-22(21,16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3
InChIKeyRGLXJLQHTIZTLR-UHFFFAOYSA-N
MW351.00 g/mol
LogP8.31
Rot. Bonds15

About tributyl-chloro-(2-ethylhexyl)-λ5-phosphane

tributyl-chloro-(2-ethylhexyl)-λ5-phosphane (PubChem CID 13070079) has the molecular formula C20H44ClP and a molecular weight of 351.00 g/mol. Its IUPAC name is tributyl-chloro-(2-ethylhexyl)-λ5-phosphane.

Molecular Properties

Compound Nametributyl-chloro-(2-ethylhexyl)-λ5-phosphane
PubChem CID13070079
Molecular FormulaC20H44ClP
Molecular Weight351.00 g/mol
Exact Mass350.29
IUPAC Nametributyl-chloro-(2-ethylhexyl)-λ5-phosphane
SMILESCCCCC(CC)CP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C20H44ClP/c1-6-11-15-20(10-5)19-22(21,16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3
InChIKeyRGLXJLQHTIZTLR-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.00
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-chloro-(2-ethylhexyl)-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-chloro-dipropyl-λ5-phosphane
CID 140527658
2-ethylhexan-1-ol;iron
CID 22477032
5-ethylnonane;5-propylnonane
CID 157441807
1-chloro-1-(1-chloro-3-ethylheptoxy)-3-ethylheptane
CID 163418082
(2S)-2-ethylhexan-1-amine
CID 6999997
(5S)-3,5-diethylnonane;methane
CID 159387669
dichloro-bis[(2R)-2-ethylhexyl]silane
CID 99738317
2-chloro-6-ethyldecane
CID 64514713
3-ethyloctane;propane
CID 143682929
3-ethylicosane
CID 528487
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
3-ethylpentacosane
CID 22224239

Frequently Asked Questions

What is the IUPAC name of tributyl-chloro-(2-ethylhexyl)-λ5-phosphane?
The IUPAC name of tributyl-chloro-(2-ethylhexyl)-λ5-phosphane (CID 13070079) is tributyl-chloro-(2-ethylhexyl)-λ5-phosphane.
What is the SMILES notation for tributyl-chloro-(2-ethylhexyl)-λ5-phosphane?
The canonical SMILES for tributyl-chloro-(2-ethylhexyl)-λ5-phosphane is CCCCC(CC)CP(Cl)(CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-chloro-(2-ethylhexyl)-λ5-phosphane?
The InChIKey is RGLXJLQHTIZTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44ClP/c1-6-11-15-20(10-5)19-22(21,16-12-7-2,17-13-8-3)18-14-9-4/h20H,6-19H2,1-5H3.
What are the key properties of tributyl-chloro-(2-ethylhexyl)-λ5-phosphane?
tributyl-chloro-(2-ethylhexyl)-λ5-phosphane has a molecular weight of 351.00 g/mol, XLogP of 8.31, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-chloro-(2-ethylhexyl)-λ5-phosphane is sourced from PubChem (CID 13070079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).