bis(6-dipropylphosphanylhexyl)-propylphosphane

C27H59P3 — CID 90111361

IUPACbis(6-dipropylphosphanylhexyl)-propylphosphane
SMILESCCCP(CCC)CCCCCCP(CCC)CCCCCCP(CCC)CCC
InChIInChI=1S/C27H59P3/c1-6-19-28(20-7-2)24-15-11-13-17-26-30(23-10-5)27-18-14-12-16-25-29(21-8-3)22-9-4/h6-27H2,1-5H3
InChIKeyZADNAMRFPSAANB-UHFFFAOYSA-N
MW476.69 g/mol
LogP10.60
Rot. Bonds24

About bis(6-dipropylphosphanylhexyl)-propylphosphane

bis(6-dipropylphosphanylhexyl)-propylphosphane (PubChem CID 90111361) has the molecular formula C27H59P3 and a molecular weight of 476.69 g/mol. Its IUPAC name is bis(6-dipropylphosphanylhexyl)-propylphosphane.

Molecular Properties

Compound Namebis(6-dipropylphosphanylhexyl)-propylphosphane
PubChem CID90111361
Molecular FormulaC27H59P3
Molecular Weight476.69 g/mol
Exact Mass476.38
IUPAC Namebis(6-dipropylphosphanylhexyl)-propylphosphane
SMILESCCCP(CCC)CCCCCCP(CCC)CCCCCCP(CCC)CCC
InChIInChI=1S/C27H59P3/c1-6-19-28(20-7-2)24-15-11-13-17-26-30(23-10-5)27-18-14-12-16-25-29(21-8-3)22-9-4/h6-27H2,1-5H3
InChIKeyZADNAMRFPSAANB-UHFFFAOYSA-N
XLogP10.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 510.60
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

butyl-pentyl-propylphosphane
CID 171559250
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
tris(trioctylphosphane);tungsten
CID 158972203
dibutyl(tetradecyl)phosphane
CID 118319275
decyl-ethyl-propylphosphane
CID 150305862

Frequently Asked Questions

What is the IUPAC name of bis(6-dipropylphosphanylhexyl)-propylphosphane?
The IUPAC name of bis(6-dipropylphosphanylhexyl)-propylphosphane (CID 90111361) is bis(6-dipropylphosphanylhexyl)-propylphosphane.
What is the SMILES notation for bis(6-dipropylphosphanylhexyl)-propylphosphane?
The canonical SMILES for bis(6-dipropylphosphanylhexyl)-propylphosphane is CCCP(CCC)CCCCCCP(CCC)CCCCCCP(CCC)CCC.
What is the InChIKey of bis(6-dipropylphosphanylhexyl)-propylphosphane?
The InChIKey is ZADNAMRFPSAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59P3/c1-6-19-28(20-7-2)24-15-11-13-17-26-30(23-10-5)27-18-14-12-16-25-29(21-8-3)22-9-4/h6-27H2,1-5H3.
What are the key properties of bis(6-dipropylphosphanylhexyl)-propylphosphane?
bis(6-dipropylphosphanylhexyl)-propylphosphane has a molecular weight of 476.69 g/mol, XLogP of 10.60, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-dipropylphosphanylhexyl)-propylphosphane is sourced from PubChem (CID 90111361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).