2-dioctadecylphosphanylethyl(dioctadecyl)phosphane

C74H152P2 — CID 21448799

IUPAC2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCC)CCP(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C74H152P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-75(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-76(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-74H2,1-4H3
InChIKeySLSHEORECFFJJA-UHFFFAOYSA-N
MW1103.98 g/mol
LogP29.00
Rot. Bonds71

About 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane

2-dioctadecylphosphanylethyl(dioctadecyl)phosphane (PubChem CID 21448799) has the molecular formula C74H152P2 and a molecular weight of 1103.98 g/mol. Its IUPAC name is 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane.

Molecular Properties

Compound Name2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
PubChem CID21448799
Molecular FormulaC74H152P2
Molecular Weight1103.98 g/mol
Exact Mass1103.14
IUPAC Name2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
SMILESCCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCC)CCP(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C74H152P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-75(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-76(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-74H2,1-4H3
InChIKeySLSHEORECFFJJA-UHFFFAOYSA-N
XLogP29.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds71
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.98
LogP ≤ 529.00
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'}

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Related Compounds

2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
cadmium;selane;trioctylphosphane
CID 174961482
bromomethane;trioctylphosphane
CID 175266178
azane;trioctylphosphane;hydrobromide
CID 174675093

Frequently Asked Questions

What is the IUPAC name of 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane?
The IUPAC name of 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane (CID 21448799) is 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane.
What is the SMILES notation for 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane?
The canonical SMILES for 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane is CCCCCCCCCCCCCCCCCCP(CCCCCCCCCCCCCCCCCC)CCP(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane?
The InChIKey is SLSHEORECFFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H152P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-75(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)73-74-76(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-74H2,1-4H3.
What are the key properties of 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane?
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane has a molecular weight of 1103.98 g/mol, XLogP of 29.00, 71 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dioctadecylphosphanylethyl(dioctadecyl)phosphane is sourced from PubChem (CID 21448799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).