decyl(undecyl)phosphane

C21H45P — CID 87830755

IUPACdecyl(undecyl)phosphane
SMILESCCCCCCCCCCCPCCCCCCCCCC
InChIInChI=1S/C21H45P/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyYWVVXOUOLBMXPA-UHFFFAOYSA-N
MW328.57 g/mol
LogP8.34
Rot. Bonds19

About decyl(undecyl)phosphane

decyl(undecyl)phosphane (PubChem CID 87830755) has the molecular formula C21H45P and a molecular weight of 328.57 g/mol. Its IUPAC name is decyl(undecyl)phosphane.

Molecular Properties

Compound Namedecyl(undecyl)phosphane
PubChem CID87830755
Molecular FormulaC21H45P
Molecular Weight328.57 g/mol
Exact Mass328.33
IUPAC Namedecyl(undecyl)phosphane
SMILESCCCCCCCCCCCPCCCCCCCCCC
InChIInChI=1S/C21H45P/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3
InChIKeyYWVVXOUOLBMXPA-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 58.34
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 decyl(undecyl)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

di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
dipentylphosphane
CID 11105867
hexadecyl(propyl)phosphane
CID 158670728
docosyl(docosylphosphanyl)phosphane
CID 21095052
octyl(pentylphosphanyl)phosphane
CID 21095189
sodium;butanedioic acid;dioctylphosphane;hydride
CID 175055356
methyl(tetradecyl)phosphane
CID 88708624
butyl(propyl)phosphane;methane
CID 158586194
decylphosphanylmethylboronic acid
CID 150889550

Frequently Asked Questions

What is the IUPAC name of decyl(undecyl)phosphane?
The IUPAC name of decyl(undecyl)phosphane (CID 87830755) is decyl(undecyl)phosphane.
What is the SMILES notation for decyl(undecyl)phosphane?
The canonical SMILES for decyl(undecyl)phosphane is CCCCCCCCCCCPCCCCCCCCCC.
What is the InChIKey of decyl(undecyl)phosphane?
The InChIKey is YWVVXOUOLBMXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45P/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h22H,3-21H2,1-2H3.
What are the key properties of decyl(undecyl)phosphane?
decyl(undecyl)phosphane has a molecular weight of 328.57 g/mol, XLogP of 8.34, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(undecyl)phosphane is sourced from PubChem (CID 87830755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).