lithium (2-octylphenyl) phosphate

C14H21LiO4P- — CID 21408120

IUPAClithium (2-octylphenyl) phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)([O-])[O-].[Li+]
InChIInChI=1S/C14H23O4P.Li/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);/q;+1/p-2
InChIKeyUWOVTMGAIGYRHF-UHFFFAOYSA-L
MW291.23 g/mol
LogP-0.20
Rot. Bonds9

About lithium (2-octylphenyl) phosphate

lithium (2-octylphenyl) phosphate (PubChem CID 21408120) has the molecular formula C14H21LiO4P- and a molecular weight of 291.23 g/mol. Its IUPAC name is lithium (2-octylphenyl) phosphate.

Molecular Properties

Compound Namelithium (2-octylphenyl) phosphate
PubChem CID21408120
Molecular FormulaC14H21LiO4P-
Molecular Weight291.23 g/mol
Exact Mass291.13
IUPAC Namelithium (2-octylphenyl) phosphate
SMILESCCCCCCCCc1ccccc1OP(=O)([O-])[O-].[Li+]
InChIInChI=1S/C14H23O4P.Li/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);/q;+1/p-2
InChIKeyUWOVTMGAIGYRHF-UHFFFAOYSA-L
XLogP-0.20
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 5-0.20
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

dialuminum;tris((2-nonylphenyl) phosphate)
CID 173352283
bis(2-heptylphenyl) phosphate;zinc
CID 140565321
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
sodium;hydride;(2-octylphenyl) dihydrogen phosphate
CID 173327470
bis(2-hexylphenyl) hydrogen phosphate
CID 14671068
(2-nonadecylphenyl) dihydrogen phosphate
CID 122612109
(2-nonylphenyl) dihydrogen phosphate
CID 14048761
bis(bis(2-butylphenyl) phosphate);nickel(2+)
CID 88827321
sodium;1-nonyl-2-(2-nonylphenoxy)benzene;sulfate
CID 5463920
zinc (2-octylphenoxy)-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 70606516
ethoxyethane;(2-octylphenyl) dihydrogen phosphate
CID 66830836
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973

Frequently Asked Questions

What is the IUPAC name of lithium (2-octylphenyl) phosphate?
The IUPAC name of lithium (2-octylphenyl) phosphate (CID 21408120) is lithium (2-octylphenyl) phosphate.
What is the SMILES notation for lithium (2-octylphenyl) phosphate?
The canonical SMILES for lithium (2-octylphenyl) phosphate is CCCCCCCCc1ccccc1OP(=O)([O-])[O-].[Li+].
What is the InChIKey of lithium (2-octylphenyl) phosphate?
The InChIKey is UWOVTMGAIGYRHF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H23O4P.Li/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18-19(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,17);/q;+1/p-2.
What are the key properties of lithium (2-octylphenyl) phosphate?
lithium (2-octylphenyl) phosphate has a molecular weight of 291.23 g/mol, XLogP of -0.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-octylphenyl) phosphate is sourced from PubChem (CID 21408120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).