dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane

C34H74P4 — CID 18386849

IUPACdibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
SMILESCCCCP(CCCC)C(C(P(CCCC)CCCC)P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C34H74P4/c1-9-17-25-35(26-18-10-2)33(36(27-19-11-3)28-20-12-4)34(37(29-21-13-5)30-22-14-6)38(31-23-15-7)32-24-16-8/h33-34H,9-32H2,1-8H3
InChIKeyOQGLTLJOOMDERO-UHFFFAOYSA-N
MW606.86 g/mol
LogP13.97
Rot. Bonds29

About dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane

dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane (PubChem CID 18386849) has the molecular formula C34H74P4 and a molecular weight of 606.86 g/mol. Its IUPAC name is dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane.

Molecular Properties

Compound Namedibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
PubChem CID18386849
Molecular FormulaC34H74P4
Molecular Weight606.86 g/mol
Exact Mass606.47
IUPAC Namedibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
SMILESCCCCP(CCCC)C(C(P(CCCC)CCCC)P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C34H74P4/c1-9-17-25-35(26-18-10-2)33(36(27-19-11-3)28-20-12-4)34(37(29-21-13-5)30-22-14-6)38(31-23-15-7)32-24-16-8/h33-34H,9-32H2,1-8H3
InChIKeyOQGLTLJOOMDERO-UHFFFAOYSA-N
XLogP13.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.86
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dibutylphosphanylethanol
CID 89485463
ruthenium;tetrakis(tributylphosphane)
CID 137286049
1-dibutylphosphanylpropan-1-ol
CID 89485556
dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
diheptyl(propan-2-yl)phosphane
CID 22497662
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
diheptyl(pentan-3-yl)phosphane
CID 87508325
dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
CID 90109988
chloroform;tributylphosphane
CID 87403775
butyl(dimethoxy)phosphane
CID 14855639
gold;tributylphosphane
CID 88800341

Frequently Asked Questions

What is the IUPAC name of dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane?
The IUPAC name of dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane (CID 18386849) is dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane.
What is the SMILES notation for dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane?
The canonical SMILES for dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane is CCCCP(CCCC)C(C(P(CCCC)CCCC)P(CCCC)CCCC)P(CCCC)CCCC.
What is the InChIKey of dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane?
The InChIKey is OQGLTLJOOMDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H74P4/c1-9-17-25-35(26-18-10-2)33(36(27-19-11-3)28-20-12-4)34(37(29-21-13-5)30-22-14-6)38(31-23-15-7)32-24-16-8/h33-34H,9-32H2,1-8H3.
What are the key properties of dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane?
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane has a molecular weight of 606.86 g/mol, XLogP of 13.97, 29 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane is sourced from PubChem (CID 18386849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).