tris(butylselanyl) phosphate

C12H27O4PSe3 — CID 18413490

IUPACtris(butylselanyl) phosphate
SMILESCCCC[Se]OP(=O)(O[Se]CCCC)O[Se]CCCC
InChIInChI=1S/C12H27O4PSe3/c1-4-7-10-18-14-17(13,15-19-11-8-5-2)16-20-12-9-6-3/h4-12H2,1-3H3
InChIKeyFGYOILHUKYPPFU-UHFFFAOYSA-N
MW503.20 g/mol
LogP4.66
Rot. Bonds15

About tris(butylselanyl) phosphate

tris(butylselanyl) phosphate (PubChem CID 18413490) has the molecular formula C12H27O4PSe3 and a molecular weight of 503.20 g/mol. Its IUPAC name is tris(butylselanyl) phosphate.

Molecular Properties

Compound Nametris(butylselanyl) phosphate
PubChem CID18413490
Molecular FormulaC12H27O4PSe3
Molecular Weight503.20 g/mol
Exact Mass505.91
IUPAC Nametris(butylselanyl) phosphate
SMILESCCCC[Se]OP(=O)(O[Se]CCCC)O[Se]CCCC
InChIInChI=1S/C12H27O4PSe3/c1-4-7-10-18-14-17(13,15-19-11-8-5-2)16-20-12-9-6-3/h4-12H2,1-3H3
InChIKeyFGYOILHUKYPPFU-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.20
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-diethoxyphosphorylethylselanyl)butane
CID 134988801
terbium;tributyl phosphate
CID 90187591
tributyl phosphate;trihydrochloride
CID 173157313
europium;tributyl phosphate
CID 90187569
CID 172720905
CID 172720905
hexane;oxomercury
CID 174814256
tributoxy phosphate
CID 18706120
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
1-didodecylphosphoryldodecane
CID 12543829
1-dihexylphosphorylhexane;1-dioctylphosphoryloctane
CID 121237547

Frequently Asked Questions

What is the IUPAC name of tris(butylselanyl) phosphate?
The IUPAC name of tris(butylselanyl) phosphate (CID 18413490) is tris(butylselanyl) phosphate.
What is the SMILES notation for tris(butylselanyl) phosphate?
The canonical SMILES for tris(butylselanyl) phosphate is CCCC[Se]OP(=O)(O[Se]CCCC)O[Se]CCCC.
What is the InChIKey of tris(butylselanyl) phosphate?
The InChIKey is FGYOILHUKYPPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O4PSe3/c1-4-7-10-18-14-17(13,15-19-11-8-5-2)16-20-12-9-6-3/h4-12H2,1-3H3.
What are the key properties of tris(butylselanyl) phosphate?
tris(butylselanyl) phosphate has a molecular weight of 503.20 g/mol, XLogP of 4.66, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butylselanyl) phosphate is sourced from PubChem (CID 18413490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).