dioctyl(tetracosan-8-yl)phosphane

C40H83P — CID 159416945

IUPACdioctyl(tetracosan-8-yl)phosphane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCC)P(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C40H83P/c1-5-9-13-17-20-21-22-23-24-25-26-27-29-33-37-40(36-32-28-16-12-8-4)41(38-34-30-18-14-10-6-2)39-35-31-19-15-11-7-3/h40H,5-39H2,1-4H3
InChIKeyTWHXNLVIJBMPNB-UHFFFAOYSA-N
MW595.08 g/mol
LogP15.79
Rot. Bonds36

About dioctyl(tetracosan-8-yl)phosphane

dioctyl(tetracosan-8-yl)phosphane (PubChem CID 159416945) has the molecular formula C40H83P and a molecular weight of 595.08 g/mol. Its IUPAC name is dioctyl(tetracosan-8-yl)phosphane.

Molecular Properties

Compound Namedioctyl(tetracosan-8-yl)phosphane
PubChem CID159416945
Molecular FormulaC40H83P
Molecular Weight595.08 g/mol
Exact Mass594.62
IUPAC Namedioctyl(tetracosan-8-yl)phosphane
SMILESCCCCCCCCCCCCCCCCC(CCCCCCC)P(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C40H83P/c1-5-9-13-17-20-21-22-23-24-25-26-27-29-33-37-40(36-32-28-16-12-8-4)41(38-34-30-18-14-10-6-2)39-35-31-19-15-11-7-3/h40H,5-39H2,1-4H3
InChIKeyTWHXNLVIJBMPNB-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.08
LogP ≤ 515.79
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

dodecan-5-yl(dioctyl)phosphane
CID 172795592
dihexyl(nonan-4-yl)phosphane
CID 172773657
decan-3-yl(dioctyl)phosphane
CID 150488617
diheptyl(pentan-3-yl)phosphane
CID 87508325
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
tri(heptadecan-3-yl)phosphane
CID 90112441
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533

Frequently Asked Questions

What is the IUPAC name of dioctyl(tetracosan-8-yl)phosphane?
The IUPAC name of dioctyl(tetracosan-8-yl)phosphane (CID 159416945) is dioctyl(tetracosan-8-yl)phosphane.
What is the SMILES notation for dioctyl(tetracosan-8-yl)phosphane?
The canonical SMILES for dioctyl(tetracosan-8-yl)phosphane is CCCCCCCCCCCCCCCCC(CCCCCCC)P(CCCCCCCC)CCCCCCCC.
What is the InChIKey of dioctyl(tetracosan-8-yl)phosphane?
The InChIKey is TWHXNLVIJBMPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H83P/c1-5-9-13-17-20-21-22-23-24-25-26-27-29-33-37-40(36-32-28-16-12-8-4)41(38-34-30-18-14-10-6-2)39-35-31-19-15-11-7-3/h40H,5-39H2,1-4H3.
What are the key properties of dioctyl(tetracosan-8-yl)phosphane?
dioctyl(tetracosan-8-yl)phosphane has a molecular weight of 595.08 g/mol, XLogP of 15.79, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyl(tetracosan-8-yl)phosphane is sourced from PubChem (CID 159416945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).