lithium hexyl(phenoxymethyl)phosphinate

C13H20LiO3P — CID 140978834

IUPAClithium hexyl(phenoxymethyl)phosphinate
SMILESCCCCCCP(=O)([O-])COc1ccccc1.[Li+]
InChIInChI=1S/C13H21O3P.Li/c1-2-3-4-8-11-17(14,15)12-16-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyVSNRANNQEBQCNQ-UHFFFAOYSA-M
MW262.21 g/mol
LogP0.25
Rot. Bonds8

About lithium hexyl(phenoxymethyl)phosphinate

lithium hexyl(phenoxymethyl)phosphinate (PubChem CID 140978834) has the molecular formula C13H20LiO3P and a molecular weight of 262.21 g/mol. Its IUPAC name is lithium hexyl(phenoxymethyl)phosphinate.

Molecular Properties

Compound Namelithium hexyl(phenoxymethyl)phosphinate
PubChem CID140978834
Molecular FormulaC13H20LiO3P
Molecular Weight262.21 g/mol
Exact Mass262.13
IUPAC Namelithium hexyl(phenoxymethyl)phosphinate
SMILESCCCCCCP(=O)([O-])COc1ccccc1.[Li+]
InChIInChI=1S/C13H21O3P.Li/c1-2-3-4-8-11-17(14,15)12-16-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyVSNRANNQEBQCNQ-UHFFFAOYSA-M
XLogP0.25
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.25
H-Bond Donors ≤ 50
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

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sodium dioctylphosphinate
CID 23691904
cobalt(2+);bis(dioctadecylphosphinate)
CID 140747214
calcium bis(dihexylphosphinate)
CID 170549963
bis(diheptylphosphinate);nickel(2+)
CID 22743867
1-[amino(phenoxy)phosphoryl]oxy-4-hexoxybenzene
CID 67856737
phenoxymethylbenzene;tetradecane
CID 175006528
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981

Frequently Asked Questions

What is the IUPAC name of lithium hexyl(phenoxymethyl)phosphinate?
The IUPAC name of lithium hexyl(phenoxymethyl)phosphinate (CID 140978834) is lithium hexyl(phenoxymethyl)phosphinate.
What is the SMILES notation for lithium hexyl(phenoxymethyl)phosphinate?
The canonical SMILES for lithium hexyl(phenoxymethyl)phosphinate is CCCCCCP(=O)([O-])COc1ccccc1.[Li+].
What is the InChIKey of lithium hexyl(phenoxymethyl)phosphinate?
The InChIKey is VSNRANNQEBQCNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H21O3P.Li/c1-2-3-4-8-11-17(14,15)12-16-13-9-6-5-7-10-13;/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of lithium hexyl(phenoxymethyl)phosphinate?
lithium hexyl(phenoxymethyl)phosphinate has a molecular weight of 262.21 g/mol, XLogP of 0.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium hexyl(phenoxymethyl)phosphinate is sourced from PubChem (CID 140978834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).