dibutyl-chloro-dihexadecyl-λ5-phosphane

C40H84ClP — CID 140527563

IUPACdibutyl-chloro-dihexadecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)(CCCC)(CCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H84ClP/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-42(41,37-11-7-3,38-12-8-4)40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-40H2,1-4H3
InChIKeyCHLZFOQWRBNIIP-UHFFFAOYSA-N
MW631.54 g/mol
LogP16.26
Rot. Bonds36

About dibutyl-chloro-dihexadecyl-λ5-phosphane

dibutyl-chloro-dihexadecyl-λ5-phosphane (PubChem CID 140527563) has the molecular formula C40H84ClP and a molecular weight of 631.54 g/mol. Its IUPAC name is dibutyl-chloro-dihexadecyl-λ5-phosphane.

Molecular Properties

Compound Namedibutyl-chloro-dihexadecyl-λ5-phosphane
PubChem CID140527563
Molecular FormulaC40H84ClP
Molecular Weight631.54 g/mol
Exact Mass630.60
IUPAC Namedibutyl-chloro-dihexadecyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(Cl)(CCCC)(CCCC)CCCCCCCCCCCCCCCC
InChIInChI=1S/C40H84ClP/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-42(41,37-11-7-3,38-12-8-4)40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-40H2,1-4H3
InChIKeyCHLZFOQWRBNIIP-UHFFFAOYSA-N
XLogP16.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.54
LogP ≤ 516.26
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 dibutyl-chloro-dihexadecyl-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-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
4-[chloro-hexadecyl-bis(4-hydroxybutyl)-λ5-phosphanyl]butan-1-ol
CID 139983344
chloro-trimethyl-tetracosyl-λ5-phosphane
CID 140680178
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
tributyl-chloro-(dodecoxymethyl)-λ5-phosphane
CID 140995087
propanoic acid;tetrabutyl(chloro)-λ5-phosphane
CID 175277396
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838

Frequently Asked Questions

What is the IUPAC name of dibutyl-chloro-dihexadecyl-λ5-phosphane?
The IUPAC name of dibutyl-chloro-dihexadecyl-λ5-phosphane (CID 140527563) is dibutyl-chloro-dihexadecyl-λ5-phosphane.
What is the SMILES notation for dibutyl-chloro-dihexadecyl-λ5-phosphane?
The canonical SMILES for dibutyl-chloro-dihexadecyl-λ5-phosphane is CCCCCCCCCCCCCCCCP(Cl)(CCCC)(CCCC)CCCCCCCCCCCCCCCC.
What is the InChIKey of dibutyl-chloro-dihexadecyl-λ5-phosphane?
The InChIKey is CHLZFOQWRBNIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H84ClP/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39-42(41,37-11-7-3,38-12-8-4)40-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-40H2,1-4H3.
What are the key properties of dibutyl-chloro-dihexadecyl-λ5-phosphane?
dibutyl-chloro-dihexadecyl-λ5-phosphane has a molecular weight of 631.54 g/mol, XLogP of 16.26, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-chloro-dihexadecyl-λ5-phosphane is sourced from PubChem (CID 140527563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).