lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide

C6H16LiN2O4P — CID 175212198

IUPAClithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide
SMILESNCCN.O=P1([O-])OCCCCO1.[Li+]
InChIInChI=1S/C4H9O4P.C2H8N2.Li/c5-9(6)7-3-1-2-4-8-9;3-1-2-4;/h1-4H2,(H,5,6);1-4H2;/q;;+1/p-1
InChIKeyDOCMARZYONJZIU-UHFFFAOYSA-M
MW218.12 g/mol
LogP-3.81
Rot. Bonds1

About lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide

lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide (PubChem CID 175212198) has the molecular formula C6H16LiN2O4P and a molecular weight of 218.12 g/mol. Its IUPAC name is lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide.

Molecular Properties

Compound Namelithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide
PubChem CID175212198
Molecular FormulaC6H16LiN2O4P
Molecular Weight218.12 g/mol
Exact Mass218.10
IUPAC Namelithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide
SMILESNCCN.O=P1([O-])OCCCCO1.[Li+]
InChIInChI=1S/C4H9O4P.C2H8N2.Li/c5-9(6)7-3-1-2-4-8-9;3-1-2-4;/h1-4H2,(H,5,6);1-4H2;/q;;+1/p-1
InChIKeyDOCMARZYONJZIU-UHFFFAOYSA-M
XLogP-3.81
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 5-3.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide?
The IUPAC name of lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide (CID 175212198) is lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide.
What is the SMILES notation for lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide?
The canonical SMILES for lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide is NCCN.O=P1([O-])OCCCCO1.[Li+].
What is the InChIKey of lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide?
The InChIKey is DOCMARZYONJZIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O4P.C2H8N2.Li/c5-9(6)7-3-1-2-4-8-9;3-1-2-4;/h1-4H2,(H,5,6);1-4H2;/q;;+1/p-1.
What are the key properties of lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide?
lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide has a molecular weight of 218.12 g/mol, XLogP of -3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethane-1,2-diamine;2-oxido-1,3,2λ5-dioxaphosphepane 2-oxide is sourced from PubChem (CID 175212198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).