lithium;dibutyl hydrogen phosphate;hydride

C8H20LiO4P — CID 174759631

IUPAClithium;dibutyl hydrogen phosphate;hydride
SMILESCCCCOP(=O)(O)OCCCC.[H-].[Li+]
InChIInChI=1S/C8H19O4P.Li.H/c1-3-5-7-11-13(9,10)12-8-6-4-2;;/h3-8H2,1-2H3,(H,9,10);;/q;+1;-1
InChIKeyXMDZUXVIMFOBPZ-UHFFFAOYSA-N
MW218.16 g/mol
LogP-0.16
Rot. Bonds8

About lithium;dibutyl hydrogen phosphate;hydride

lithium;dibutyl hydrogen phosphate;hydride (PubChem CID 174759631) has the molecular formula C8H20LiO4P and a molecular weight of 218.16 g/mol. Its IUPAC name is lithium;dibutyl hydrogen phosphate;hydride.

Molecular Properties

Compound Namelithium;dibutyl hydrogen phosphate;hydride
PubChem CID174759631
Molecular FormulaC8H20LiO4P
Molecular Weight218.16 g/mol
Exact Mass218.13
IUPAC Namelithium;dibutyl hydrogen phosphate;hydride
SMILESCCCCOP(=O)(O)OCCCC.[H-].[Li+]
InChIInChI=1S/C8H19O4P.Li.H/c1-3-5-7-11-13(9,10)12-8-6-4-2;;/h3-8H2,1-2H3,(H,9,10);;/q;+1;-1
InChIKeyXMDZUXVIMFOBPZ-UHFFFAOYSA-N
XLogP-0.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

dibutyl hydrogen phosphate
CID 158586372
butyl heptyl hydrogen phosphate
CID 86151412
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
dioctyl hydrogen phosphate;zinc
CID 20743274
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dibutyl hydrogen phosphate;tetrabutylazanium
CID 170920610
butyl phosphono hydrogen phosphate
CID 22278195

Frequently Asked Questions

What is the IUPAC name of lithium;dibutyl hydrogen phosphate;hydride?
The IUPAC name of lithium;dibutyl hydrogen phosphate;hydride (CID 174759631) is lithium;dibutyl hydrogen phosphate;hydride.
What is the SMILES notation for lithium;dibutyl hydrogen phosphate;hydride?
The canonical SMILES for lithium;dibutyl hydrogen phosphate;hydride is CCCCOP(=O)(O)OCCCC.[H-].[Li+].
What is the InChIKey of lithium;dibutyl hydrogen phosphate;hydride?
The InChIKey is XMDZUXVIMFOBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4P.Li.H/c1-3-5-7-11-13(9,10)12-8-6-4-2;;/h3-8H2,1-2H3,(H,9,10);;/q;+1;-1.
What are the key properties of lithium;dibutyl hydrogen phosphate;hydride?
lithium;dibutyl hydrogen phosphate;hydride has a molecular weight of 218.16 g/mol, XLogP of -0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dibutyl hydrogen phosphate;hydride is sourced from PubChem (CID 174759631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).