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

C36H78P4 — CID 90109988

IUPACdibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
SMILESCCCCP(CCCC)C(CC)C(P(CCCC)CCCC)(P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C36H78P4/c1-10-19-27-37(28-20-11-2)35(18-9)36(38(29-21-12-3)30-22-13-4,39(31-23-14-5)32-24-15-6)40(33-25-16-7)34-26-17-8/h35H,10-34H2,1-9H3
InChIKeyHTFCTTCJOFRQJK-UHFFFAOYSA-N
MW634.92 g/mol
LogP14.75
Rot. Bonds30

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

dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane (PubChem CID 90109988) has the molecular formula C36H78P4 and a molecular weight of 634.92 g/mol. Its IUPAC name is dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane.

Molecular Properties

Compound Namedibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
PubChem CID90109988
Molecular FormulaC36H78P4
Molecular Weight634.92 g/mol
Exact Mass634.51
IUPAC Namedibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane
SMILESCCCCP(CCCC)C(CC)C(P(CCCC)CCCC)(P(CCCC)CCCC)P(CCCC)CCCC
InChIInChI=1S/C36H78P4/c1-10-19-27-37(28-20-11-2)35(18-9)36(38(29-21-12-3)30-22-13-4,39(31-23-14-5)32-24-15-6)40(33-25-16-7)34-26-17-8/h35H,10-34H2,1-9H3
InChIKeyHTFCTTCJOFRQJK-UHFFFAOYSA-N
XLogP14.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.92
LogP ≤ 514.75
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

dibutyl(1-dibutylphosphanyloctyl)phosphane
CID 90109287
dibutyl-[1,2,2-tris(dibutylphosphanyl)ethyl]phosphane
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1-dibutylphosphanylpropan-1-ol
CID 89485556
1-dipentylphosphanylpentyl(dipentyl)phosphane
CID 90109167
1-dihexylphosphanylhexyl(dihexyl)phosphane
CID 90112069
1-dihexylphosphanyloctyl(dihexyl)phosphane
CID 90111410
dibutyl(hexan-3-yl)phosphane;hydrobromide
CID 172717533
1-dipropylphosphanylpentyl(dipropyl)phosphane
CID 90110051
1-dibutylphosphanylethanol
CID 89485463
3-dipentylphosphanylpentan-3-yl(dipentyl)phosphane
CID 140640311
butyl-tert-butyl-[[butyl(tert-butyl)phosphanyl]methyl]phosphane;dihydrobromide
CID 173222621
diheptyl(pentan-3-yl)phosphane
CID 87508325

Frequently Asked Questions

What is the IUPAC name of dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane?
The IUPAC name of dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane (CID 90109988) is dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane.
What is the SMILES notation for dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane?
The canonical SMILES for dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane is CCCCP(CCCC)C(CC)C(P(CCCC)CCCC)(P(CCCC)CCCC)P(CCCC)CCCC.
What is the InChIKey of dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane?
The InChIKey is HTFCTTCJOFRQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H78P4/c1-10-19-27-37(28-20-11-2)35(18-9)36(38(29-21-12-3)30-22-13-4,39(31-23-14-5)32-24-15-6)40(33-25-16-7)34-26-17-8/h35H,10-34H2,1-9H3.
What are the key properties of dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane?
dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane has a molecular weight of 634.92 g/mol, XLogP of 14.75, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[1,1,1-tris(dibutylphosphanyl)butan-2-yl]phosphane is sourced from PubChem (CID 90109988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).