lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate

C13H31LiO4P2 — CID 139896822

IUPAClithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate
SMILESCCCCP(CCC)(CCC)(CCC)OP(=O)([O-])O.[Li+]
InChIInChI=1S/C13H32O4P2.Li/c1-5-9-13-19(10-6-2,11-7-3,12-8-4)17-18(14,15)16;/h5-13H2,1-4H3,(H2,14,15,16);/q;+1/p-1
InChIKeyDNHYFPWHJKNNFZ-UHFFFAOYSA-M
MW320.28 g/mol
LogP0.97
Rot. Bonds11

About lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate

lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate (PubChem CID 139896822) has the molecular formula C13H31LiO4P2 and a molecular weight of 320.28 g/mol. Its IUPAC name is lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate.

Molecular Properties

Compound Namelithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate
PubChem CID139896822
Molecular FormulaC13H31LiO4P2
Molecular Weight320.28 g/mol
Exact Mass320.19
IUPAC Namelithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate
SMILESCCCCP(CCC)(CCC)(CCC)OP(=O)([O-])O.[Li+]
InChIInChI=1S/C13H32O4P2.Li/c1-5-9-13-19(10-6-2,11-7-3,12-8-4)17-18(14,15)16;/h5-13H2,1-4H3,(H2,14,15,16);/q;+1/p-1
InChIKeyDNHYFPWHJKNNFZ-UHFFFAOYSA-M
XLogP0.97
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium butyl-(tetrabutyl-λ5-phosphanyl)oxyphosphinate
CID 139896839
dodecyl bis(tetrabutyl-λ5-phosphanyl) phosphate
CID 141220926
octacosyl hydrogen phosphate
CID 20569356
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
potassium;hexadecyl hydrogen phosphate;phosphoric acid
CID 162057892
dodecane;phosphoric acid
CID 88801558
dihydrogen phosphate;dodecyl-dimethyl-nonylazanium
CID 122481275
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
dihydrogen phosphate;trimethyl(octadecyl)azanium
CID 90034262
decyl-dimethyl-octylazanium;dihydrogen phosphate
CID 122481601
pentanoyl phosphate
CID 149253052
(tetradodecyl-λ5-phosphanyl) acetate
CID 87189889

Frequently Asked Questions

What is the IUPAC name of lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate?
The IUPAC name of lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate (CID 139896822) is lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate.
What is the SMILES notation for lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate?
The canonical SMILES for lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate is CCCCP(CCC)(CCC)(CCC)OP(=O)([O-])O.[Li+].
What is the InChIKey of lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate?
The InChIKey is DNHYFPWHJKNNFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H32O4P2.Li/c1-5-9-13-19(10-6-2,11-7-3,12-8-4)17-18(14,15)16;/h5-13H2,1-4H3,(H2,14,15,16);/q;+1/p-1.
What are the key properties of lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate?
lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate has a molecular weight of 320.28 g/mol, XLogP of 0.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [butyl(tripropyl)-λ5-phosphanyl] hydrogen phosphate is sourced from PubChem (CID 139896822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).