hexyl-octyl-pentylphosphane

C19H41P — CID 90108526

IUPAChexyl-octyl-pentylphosphane
SMILESCCCCCCCCP(CCCCC)CCCCCC
InChIInChI=1S/C19H41P/c1-4-7-10-12-13-16-19-20(17-14-9-6-3)18-15-11-8-5-2/h4-19H2,1-3H3
InChIKeyHYJVMUUSCMCJRK-UHFFFAOYSA-N
MW300.51 g/mol
LogP7.60
Rot. Bonds16

About hexyl-octyl-pentylphosphane

hexyl-octyl-pentylphosphane (PubChem CID 90108526) has the molecular formula C19H41P and a molecular weight of 300.51 g/mol. Its IUPAC name is hexyl-octyl-pentylphosphane.

Molecular Properties

Compound Namehexyl-octyl-pentylphosphane
PubChem CID90108526
Molecular FormulaC19H41P
Molecular Weight300.51 g/mol
Exact Mass300.29
IUPAC Namehexyl-octyl-pentylphosphane
SMILESCCCCCCCCP(CCCCC)CCCCCC
InChIInChI=1S/C19H41P/c1-4-7-10-12-13-16-19-20(17-14-9-6-3)18-15-11-8-5-2/h4-19H2,1-3H3
InChIKeyHYJVMUUSCMCJRK-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.51
LogP ≤ 57.60
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

4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
dibutyl(decyl)phosphane
CID 171559269
bismuthane;trioctylphosphane
CID 174398286
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 hexyl-octyl-pentylphosphane?
The IUPAC name of hexyl-octyl-pentylphosphane (CID 90108526) is hexyl-octyl-pentylphosphane.
What is the SMILES notation for hexyl-octyl-pentylphosphane?
The canonical SMILES for hexyl-octyl-pentylphosphane is CCCCCCCCP(CCCCC)CCCCCC.
What is the InChIKey of hexyl-octyl-pentylphosphane?
The InChIKey is HYJVMUUSCMCJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41P/c1-4-7-10-12-13-16-19-20(17-14-9-6-3)18-15-11-8-5-2/h4-19H2,1-3H3.
What are the key properties of hexyl-octyl-pentylphosphane?
hexyl-octyl-pentylphosphane has a molecular weight of 300.51 g/mol, XLogP of 7.60, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-octyl-pentylphosphane is sourced from PubChem (CID 90108526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).