dibutyl phosphate;tetramethylphosphanium

C12H30O4P2 — CID 87474476

IUPACdibutyl phosphate;tetramethylphosphanium
SMILESCCCCOP(=O)([O-])OCCCC.C[P+](C)(C)C
InChIInChI=1S/C8H19O4P.C4H12P/c1-3-5-7-11-13(9,10)12-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1
InChIKeyWMKKKBHYIXXTTN-UHFFFAOYSA-M
MW300.32 g/mol
LogP3.61
Rot. Bonds8

About dibutyl phosphate;tetramethylphosphanium

dibutyl phosphate;tetramethylphosphanium (PubChem CID 87474476) has the molecular formula C12H30O4P2 and a molecular weight of 300.32 g/mol. Its IUPAC name is dibutyl phosphate;tetramethylphosphanium.

Molecular Properties

Compound Namedibutyl phosphate;tetramethylphosphanium
PubChem CID87474476
Molecular FormulaC12H30O4P2
Molecular Weight300.32 g/mol
Exact Mass300.16
IUPAC Namedibutyl phosphate;tetramethylphosphanium
SMILESCCCCOP(=O)([O-])OCCCC.C[P+](C)(C)C
InChIInChI=1S/C8H19O4P.C4H12P/c1-3-5-7-11-13(9,10)12-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1
InChIKeyWMKKKBHYIXXTTN-UHFFFAOYSA-M
XLogP3.61
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

magnesium dibutyl phosphate
CID 21400580
butyl propyl phosphate;nickel
CID 88805143
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
dibutyl phosphate;tetraethylazanium
CID 156853023
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907

Frequently Asked Questions

What is the IUPAC name of dibutyl phosphate;tetramethylphosphanium?
The IUPAC name of dibutyl phosphate;tetramethylphosphanium (CID 87474476) is dibutyl phosphate;tetramethylphosphanium.
What is the SMILES notation for dibutyl phosphate;tetramethylphosphanium?
The canonical SMILES for dibutyl phosphate;tetramethylphosphanium is CCCCOP(=O)([O-])OCCCC.C[P+](C)(C)C.
What is the InChIKey of dibutyl phosphate;tetramethylphosphanium?
The InChIKey is WMKKKBHYIXXTTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.C4H12P/c1-3-5-7-11-13(9,10)12-8-6-4-2;1-5(2,3)4/h3-8H2,1-2H3,(H,9,10);1-4H3/q;+1/p-1.
What are the key properties of dibutyl phosphate;tetramethylphosphanium?
dibutyl phosphate;tetramethylphosphanium has a molecular weight of 300.32 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl phosphate;tetramethylphosphanium is sourced from PubChem (CID 87474476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).