chloro-trihexyl-octadecyl-λ5-phosphane

C36H76ClP — CID 140528098

IUPACchloro-trihexyl-octadecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Cl)(CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C36H76ClP/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-28-32-36-38(37,33-29-14-10-6-2,34-30-15-11-7-3)35-31-16-12-8-4/h5-36H2,1-4H3
InChIKeyGPCPSJXTMBDUPI-UHFFFAOYSA-N
MW575.43 g/mol
LogP14.70
Rot. Bonds32

About chloro-trihexyl-octadecyl-λ5-phosphane

chloro-trihexyl-octadecyl-λ5-phosphane (PubChem CID 140528098) has the molecular formula C36H76ClP and a molecular weight of 575.43 g/mol. Its IUPAC name is chloro-trihexyl-octadecyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-trihexyl-octadecyl-λ5-phosphane
PubChem CID140528098
Molecular FormulaC36H76ClP
Molecular Weight575.43 g/mol
Exact Mass574.54
IUPAC Namechloro-trihexyl-octadecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCP(Cl)(CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C36H76ClP/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-28-32-36-38(37,33-29-14-10-6-2,34-30-15-11-7-3)35-31-16-12-8-4/h5-36H2,1-4H3
InChIKeyGPCPSJXTMBDUPI-UHFFFAOYSA-N
XLogP14.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.43
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-trihexyl-octadecyl-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

chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
chloro-[[ethoxy(dimethyl)silyl]methyl]-trioctyl-λ5-phosphane
CID 153404340
dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552

Frequently Asked Questions

What is the IUPAC name of chloro-trihexyl-octadecyl-λ5-phosphane?
The IUPAC name of chloro-trihexyl-octadecyl-λ5-phosphane (CID 140528098) is chloro-trihexyl-octadecyl-λ5-phosphane.
What is the SMILES notation for chloro-trihexyl-octadecyl-λ5-phosphane?
The canonical SMILES for chloro-trihexyl-octadecyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCP(Cl)(CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of chloro-trihexyl-octadecyl-λ5-phosphane?
The InChIKey is GPCPSJXTMBDUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H76ClP/c1-5-9-13-17-18-19-20-21-22-23-24-25-26-27-28-32-36-38(37,33-29-14-10-6-2,34-30-15-11-7-3)35-31-16-12-8-4/h5-36H2,1-4H3.
What are the key properties of chloro-trihexyl-octadecyl-λ5-phosphane?
chloro-trihexyl-octadecyl-λ5-phosphane has a molecular weight of 575.43 g/mol, XLogP of 14.70, 32 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-trihexyl-octadecyl-λ5-phosphane is sourced from PubChem (CID 140528098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).