4-ethyloctyl(dioctyl)phosphane

C26H55P — CID 23219464

IUPAC4-ethyloctyl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCC(CC)CCCC
InChIInChI=1S/C26H55P/c1-5-9-12-14-16-18-23-27(24-19-17-15-13-10-6-2)25-20-22-26(8-4)21-11-7-3/h26H,5-25H2,1-4H3
InChIKeyXRXQUVIQQZDSOD-UHFFFAOYSA-N
MW398.70 g/mol
LogP10.19
Rot. Bonds22

About 4-ethyloctyl(dioctyl)phosphane

4-ethyloctyl(dioctyl)phosphane (PubChem CID 23219464) has the molecular formula C26H55P and a molecular weight of 398.70 g/mol. Its IUPAC name is 4-ethyloctyl(dioctyl)phosphane.

Molecular Properties

Compound Name4-ethyloctyl(dioctyl)phosphane
PubChem CID23219464
Molecular FormulaC26H55P
Molecular Weight398.70 g/mol
Exact Mass398.40
IUPAC Name4-ethyloctyl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)CCCC(CC)CCCC
InChIInChI=1S/C26H55P/c1-5-9-12-14-16-18-23-27(24-19-17-15-13-10-6-2)25-20-22-26(8-4)21-11-7-3/h26H,5-25H2,1-4H3
InChIKeyXRXQUVIQQZDSOD-UHFFFAOYSA-N
XLogP10.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 510.19
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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
7-ethyltridecane;methane
CID 158982306
dibutyl(tetradecyl)phosphane
CID 118319275
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctyl(dioctyl)phosphane?
The IUPAC name of 4-ethyloctyl(dioctyl)phosphane (CID 23219464) is 4-ethyloctyl(dioctyl)phosphane.
What is the SMILES notation for 4-ethyloctyl(dioctyl)phosphane?
The canonical SMILES for 4-ethyloctyl(dioctyl)phosphane is CCCCCCCCP(CCCCCCCC)CCCC(CC)CCCC.
What is the InChIKey of 4-ethyloctyl(dioctyl)phosphane?
The InChIKey is XRXQUVIQQZDSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55P/c1-5-9-12-14-16-18-23-27(24-19-17-15-13-10-6-2)25-20-22-26(8-4)21-11-7-3/h26H,5-25H2,1-4H3.
What are the key properties of 4-ethyloctyl(dioctyl)phosphane?
4-ethyloctyl(dioctyl)phosphane has a molecular weight of 398.70 g/mol, XLogP of 10.19, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctyl(dioctyl)phosphane is sourced from PubChem (CID 23219464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).