Dibutyl phosphate anion

HCID 3790919CAS 32288-01-0

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Basic information

Standard SMILES: CCCCOP(=O)([O-])OCCCC
InChIKey: JYFHYPJRHGVZDY-UHFFFAOYSA-M
Molecular formula: C8H18O4P-
Average molar mass: 209.2 g/mol
Monoisotopic mass: 209.09481927

Names & identifiers

Preferred name: Dibutyl phosphate anion
IUPAC: dibutyl phosphate

Names & synonyms

dibutyl phosphate anionJYFHYPJRHGVZDY-UHFFFAOYSA-MDTXSID201369665AKOS01591620332288-01-0

Database identifiers

CAS: 32288-01-0
PubChem CID: 3790919
DTXSID: DTXSID201369665
Nikkaji: J493.167J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: -1
Complexity: 138

Related reactions

23 records

New reaction record

HRID 2359 reaction equation

HRID 2359As reactantuspto-grants-1998_03

HRID 202056 reaction equation

HRID 202056As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 275226 reaction equation

HRID 275226As reactantuspto-grants-1995_02

HRID 620470 reaction equation

HRID 620470As catalystuspto-grants-1989_04

HRID 620472 reaction equation

HRID 620472As catalystuspto-grants-1989_04

HRID 620473 reaction equation

HRID 620473As reactantuspto-grants-1989_04

HRID 670741 reaction equation

HRID 670741As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 743727 reaction equation

HRID 743727As reactantuspto-grants-1996_09

Linked notes

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