decan-3-yl(dioctyl)phosphane

C26H55P — CID 150488617

IUPACdecan-3-yl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)C(CC)CCCCCCC
InChIInChI=1S/C26H55P/c1-5-9-12-15-18-21-24-27(25-22-19-16-13-10-6-2)26(8-4)23-20-17-14-11-7-3/h26H,5-25H2,1-4H3
InChIKeyHVHWNWUBQLWSGM-UHFFFAOYSA-N
MW398.70 g/mol
LogP10.33
Rot. Bonds22

About decan-3-yl(dioctyl)phosphane

decan-3-yl(dioctyl)phosphane (PubChem CID 150488617) has the molecular formula C26H55P and a molecular weight of 398.70 g/mol. Its IUPAC name is decan-3-yl(dioctyl)phosphane.

Molecular Properties

Compound Namedecan-3-yl(dioctyl)phosphane
PubChem CID150488617
Molecular FormulaC26H55P
Molecular Weight398.70 g/mol
Exact Mass398.40
IUPAC Namedecan-3-yl(dioctyl)phosphane
SMILESCCCCCCCCP(CCCCCCCC)C(CC)CCCCCCC
InChIInChI=1S/C26H55P/c1-5-9-12-15-18-21-24-27(25-22-19-16-13-10-6-2)26(8-4)23-20-17-14-11-7-3/h26H,5-25H2,1-4H3
InChIKeyHVHWNWUBQLWSGM-UHFFFAOYSA-N
XLogP10.33
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 ≤ 510.33
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

dioctyl(tetracosan-8-yl)phosphane
CID 159416945
dodecan-5-yl(dioctyl)phosphane
CID 172795592
diheptyl(pentan-3-yl)phosphane
CID 87508325
dihexyl(nonan-4-yl)phosphane
CID 172773657
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
tri(heptadecan-3-yl)phosphane
CID 90112441
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
azane;nonan-2-yl(dioctyl)phosphane
CID 172807028
butan-2-yl-heptan-3-yl-octylphosphane
CID 144962295
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287

Frequently Asked Questions

What is the IUPAC name of decan-3-yl(dioctyl)phosphane?
The IUPAC name of decan-3-yl(dioctyl)phosphane (CID 150488617) is decan-3-yl(dioctyl)phosphane.
What is the SMILES notation for decan-3-yl(dioctyl)phosphane?
The canonical SMILES for decan-3-yl(dioctyl)phosphane is CCCCCCCCP(CCCCCCCC)C(CC)CCCCCCC.
What is the InChIKey of decan-3-yl(dioctyl)phosphane?
The InChIKey is HVHWNWUBQLWSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55P/c1-5-9-12-15-18-21-24-27(25-22-19-16-13-10-6-2)26(8-4)23-20-17-14-11-7-3/h26H,5-25H2,1-4H3.
What are the key properties of decan-3-yl(dioctyl)phosphane?
decan-3-yl(dioctyl)phosphane has a molecular weight of 398.70 g/mol, XLogP of 10.33, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decan-3-yl(dioctyl)phosphane is sourced from PubChem (CID 150488617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).