8-chlorooctyl(diphenyl)phosphane

C20H26ClP — CID 141190176

IUPAC8-chlorooctyl(diphenyl)phosphane
SMILESClCCCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26ClP/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKeyVMAWQXGBMUSTPP-UHFFFAOYSA-N
MW332.86 g/mol
LogP5.70
Rot. Bonds10

About 8-chlorooctyl(diphenyl)phosphane

8-chlorooctyl(diphenyl)phosphane (PubChem CID 141190176) has the molecular formula C20H26ClP and a molecular weight of 332.86 g/mol. Its IUPAC name is 8-chlorooctyl(diphenyl)phosphane.

Molecular Properties

Compound Name8-chlorooctyl(diphenyl)phosphane
PubChem CID141190176
Molecular FormulaC20H26ClP
Molecular Weight332.86 g/mol
Exact Mass332.15
IUPAC Name8-chlorooctyl(diphenyl)phosphane
SMILESClCCCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26ClP/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKeyVMAWQXGBMUSTPP-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.86
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chlorooctyl(diphenyl)phosphane?
The IUPAC name of 8-chlorooctyl(diphenyl)phosphane (CID 141190176) is 8-chlorooctyl(diphenyl)phosphane.
What is the SMILES notation for 8-chlorooctyl(diphenyl)phosphane?
The canonical SMILES for 8-chlorooctyl(diphenyl)phosphane is ClCCCCCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-chlorooctyl(diphenyl)phosphane?
The InChIKey is VMAWQXGBMUSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClP/c21-17-11-3-1-2-4-12-18-22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2.
What are the key properties of 8-chlorooctyl(diphenyl)phosphane?
8-chlorooctyl(diphenyl)phosphane has a molecular weight of 332.86 g/mol, XLogP of 5.70, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorooctyl(diphenyl)phosphane is sourced from PubChem (CID 141190176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).