sodium dibutyl phosphate

C8H18NaO4P — CID 23678411

IUPACsodium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[Na+]
InChIInChI=1S/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyYEQCNBCFZFWPKX-UHFFFAOYSA-M
MW232.19 g/mol
LogP-0.91
Rot. Bonds8

About sodium dibutyl phosphate

sodium dibutyl phosphate (PubChem CID 23678411) has the molecular formula C8H18NaO4P and a molecular weight of 232.19 g/mol. Its IUPAC name is sodium dibutyl phosphate.

Molecular Properties

Compound Namesodium dibutyl phosphate
PubChem CID23678411
Molecular FormulaC8H18NaO4P
Molecular Weight232.19 g/mol
Exact Mass232.08
IUPAC Namesodium dibutyl phosphate
SMILESCCCCOP(=O)([O-])OCCCC.[Na+]
InChIInChI=1S/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyYEQCNBCFZFWPKX-UHFFFAOYSA-M
XLogP-0.91
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-0.91
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

Tetraethyl Pyrophosphate
CID 7873
Tributyl Phosphate
CID 31357
Triisobutyl phosphate
CID 31355
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl phosphate
CID 7881
Dibutyl butylphosphonate
CID 6539
Diphosphoric acid, tetrabutyl ester
CID 73861
Monobutyl phosphate
CID 15389
Tripropyl phosphate
CID 10546
Phosphoric acid, monobutyl ester, sodium salt (1:2)
CID 163035
Tripentyl phosphate
CID 75665
Triisopropyl phosphate
CID 68188

Frequently Asked Questions

What is the IUPAC name of sodium dibutyl phosphate?
The IUPAC name of sodium dibutyl phosphate (CID 23678411) is sodium dibutyl phosphate.
What is the SMILES notation for sodium dibutyl phosphate?
The canonical SMILES for sodium dibutyl phosphate is CCCCOP(=O)([O-])OCCCC.[Na+].
What is the InChIKey of sodium dibutyl phosphate?
The InChIKey is YEQCNBCFZFWPKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.Na/c1-3-5-7-11-13(9,10)12-8-6-4-2;/h3-8H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium dibutyl phosphate?
sodium dibutyl phosphate has a molecular weight of 232.19 g/mol, XLogP of -0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dibutyl phosphate is sourced from PubChem (CID 23678411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).