diphenylphosphane;octane

C20H29P — CID 19797985

IUPACdiphenylphosphane;octane
SMILESCCCCCCCC.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H18/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-8-6-4-2/h1-10,13H;3-8H2,1-2H3
InChIKeyAJJZBOFUSXFCSG-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.68
Rot. Bonds7

About diphenylphosphane;octane

diphenylphosphane;octane (PubChem CID 19797985) has the molecular formula C20H29P and a molecular weight of 300.43 g/mol. Its IUPAC name is diphenylphosphane;octane.

Molecular Properties

Compound Namediphenylphosphane;octane
PubChem CID19797985
Molecular FormulaC20H29P
Molecular Weight300.43 g/mol
Exact Mass300.20
IUPAC Namediphenylphosphane;octane
SMILESCCCCCCCC.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H18/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-8-6-4-2/h1-10,13H;3-8H2,1-2H3
InChIKeyAJJZBOFUSXFCSG-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.68
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 diphenylphosphane;octane 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

(4-decoxyphenyl)-phenylphosphane
CID 151554619
(4-octoxyphenyl)-phenylphosphane
CID 157378460
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
butane;dichloronickel;diphenylphosphane
CID 160852831
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
dodecane;phenol
CID 157210063
1,1'-biphenyl;hexadecane
CID 173308514
diphenylphosphane;zinc
CID 160591319
bis(heptane);toluene
CID 157306102
benzene;heptane;hexane;toluene
CID 160959480
dichloromethane;diphenylphosphane
CID 158269242

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;octane?
The IUPAC name of diphenylphosphane;octane (CID 19797985) is diphenylphosphane;octane.
What is the SMILES notation for diphenylphosphane;octane?
The canonical SMILES for diphenylphosphane;octane is CCCCCCCC.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;octane?
The InChIKey is AJJZBOFUSXFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C8H18/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-8-6-4-2/h1-10,13H;3-8H2,1-2H3.
What are the key properties of diphenylphosphane;octane?
diphenylphosphane;octane has a molecular weight of 300.43 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;octane is sourced from PubChem (CID 19797985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).