dilithium;tridecyl phosphate

C13H27Li2O4P — CID 159999815

IUPACdilithium;tridecyl phosphate
SMILESCCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C13H29O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;/h2-13H2,1H3,(H2,14,15,16);;/q;2*+1/p-2
InChIKeyOIACOZYVOJFZJU-UHFFFAOYSA-L
MW292.21 g/mol
LogP-2.85
Rot. Bonds13

About dilithium;tridecyl phosphate

dilithium;tridecyl phosphate (PubChem CID 159999815) has the molecular formula C13H27Li2O4P and a molecular weight of 292.21 g/mol. Its IUPAC name is dilithium;tridecyl phosphate.

Molecular Properties

Compound Namedilithium;tridecyl phosphate
PubChem CID159999815
Molecular FormulaC13H27Li2O4P
Molecular Weight292.21 g/mol
Exact Mass292.20
IUPAC Namedilithium;tridecyl phosphate
SMILESCCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/C13H29O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;/h2-13H2,1H3,(H2,14,15,16);;/q;2*+1/p-2
InChIKeyOIACOZYVOJFZJU-UHFFFAOYSA-L
XLogP-2.85
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 5-2.85
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

dilithium;tetradecyl phosphate
CID 139820221
dilithium;octacosyl phosphate
CID 139820226
calcium hexadecyl phosphate
CID 15662538
disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706
azanium tetradecyl phosphate
CID 19028533
calcium dotriacontyl phosphate
CID 164901019
dipotassium;octyl phosphate
CID 29394
calcium;sodium;pentadecyl phosphate
CID 172731404
dipotassium;tetradecyl phosphate
CID 11089999
bis(neodymium(3+));octyl phosphate
CID 141387677

Frequently Asked Questions

What is the IUPAC name of dilithium;tridecyl phosphate?
The IUPAC name of dilithium;tridecyl phosphate (CID 159999815) is dilithium;tridecyl phosphate.
What is the SMILES notation for dilithium;tridecyl phosphate?
The canonical SMILES for dilithium;tridecyl phosphate is CCCCCCCCCCCCCOP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;tridecyl phosphate?
The InChIKey is OIACOZYVOJFZJU-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H29O4P.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;;/h2-13H2,1H3,(H2,14,15,16);;/q;2*+1/p-2.
What are the key properties of dilithium;tridecyl phosphate?
dilithium;tridecyl phosphate has a molecular weight of 292.21 g/mol, XLogP of -2.85, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tridecyl phosphate is sourced from PubChem (CID 159999815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).