lithium 4-diphenylphosphanylpentan-2-yl sulfate

C17H20LiO4PS — CID 74085086

IUPAClithium 4-diphenylphosphanylpentan-2-yl sulfate
SMILESCC(CC(C)P(c1ccccc1)c1ccccc1)OS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C17H21O4PS.Li/c1-14(21-23(18,19)20)13-15(2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,14-15H,13H2,1-2H3,(H,18,19,20);/q;+1/p-1
InChIKeyYYEVKFYCQFAEHV-UHFFFAOYSA-M
MW358.32 g/mol
LogP-0.23
Rot. Bonds7

About lithium 4-diphenylphosphanylpentan-2-yl sulfate

lithium 4-diphenylphosphanylpentan-2-yl sulfate (PubChem CID 74085086) has the molecular formula C17H20LiO4PS and a molecular weight of 358.32 g/mol. Its IUPAC name is lithium 4-diphenylphosphanylpentan-2-yl sulfate.

Molecular Properties

Compound Namelithium 4-diphenylphosphanylpentan-2-yl sulfate
PubChem CID74085086
Molecular FormulaC17H20LiO4PS
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Namelithium 4-diphenylphosphanylpentan-2-yl sulfate
SMILESCC(CC(C)P(c1ccccc1)c1ccccc1)OS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C17H21O4PS.Li/c1-14(21-23(18,19)20)13-15(2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,14-15H,13H2,1-2H3,(H,18,19,20);/q;+1/p-1
InChIKeyYYEVKFYCQFAEHV-UHFFFAOYSA-M
XLogP-0.23
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
[(2R,4R)-4-diphenylphosphanylpentan-2-yl]-triphenylphosphanium
CID 11016754
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
1-diphenylphosphanylethanesulfonamide
CID 174898207
1-diphenylphosphanylethanesulfonic acid
CID 19437390
CID 16726510
CID 16726510
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
disodium;3-[phenyl-[3-[phenyl-(3-sulfonatophenyl)phosphanyl]butan-2-yl]phosphanyl]benzenesulfonate
CID 14647533
gold(1+);methanesulfonate;triphenylphosphane
CID 172719682
bis(di(propan-2-yl)carbamic acid);ruthenium;bis(triphenylphosphane)
CID 11480047
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037

Frequently Asked Questions

What is the IUPAC name of lithium 4-diphenylphosphanylpentan-2-yl sulfate?
The IUPAC name of lithium 4-diphenylphosphanylpentan-2-yl sulfate (CID 74085086) is lithium 4-diphenylphosphanylpentan-2-yl sulfate.
What is the SMILES notation for lithium 4-diphenylphosphanylpentan-2-yl sulfate?
The canonical SMILES for lithium 4-diphenylphosphanylpentan-2-yl sulfate is CC(CC(C)P(c1ccccc1)c1ccccc1)OS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 4-diphenylphosphanylpentan-2-yl sulfate?
The InChIKey is YYEVKFYCQFAEHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21O4PS.Li/c1-14(21-23(18,19)20)13-15(2)22(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,14-15H,13H2,1-2H3,(H,18,19,20);/q;+1/p-1.
What are the key properties of lithium 4-diphenylphosphanylpentan-2-yl sulfate?
lithium 4-diphenylphosphanylpentan-2-yl sulfate has a molecular weight of 358.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-diphenylphosphanylpentan-2-yl sulfate is sourced from PubChem (CID 74085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).