ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

C10H30N2O5P2+2 — CID 174668717

IUPACethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCC.CCNCC.CCNCC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/2C4H11N.C2H6.O5P2/c2*1-3-5-4-2;1-2;1-6(2)5-7(3)4/h2*5H,3-4H2,1-2H3;1-2H3;/p+2
InChIKeyZPAAPTONVLGONX-UHFFFAOYSA-P
MW320.31 g/mol
LogP2.56
Rot. Bonds6

About ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium

ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (PubChem CID 174668717) has the molecular formula C10H30N2O5P2+2 and a molecular weight of 320.31 g/mol. Its IUPAC name is ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.

Molecular Properties

Compound Nameethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
PubChem CID174668717
Molecular FormulaC10H30N2O5P2+2
Molecular Weight320.31 g/mol
Exact Mass320.16
IUPAC Nameethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
SMILESCC.CCNCC.CCNCC.O=[P+](O)O[P+](=O)O
InChIInChI=1S/2C4H11N.C2H6.O5P2/c2*1-3-5-4-2;1-2;1-6(2)5-7(3)4/h2*5H,3-4H2,1-2H3;1-2H3;/p+2
InChIKeyZPAAPTONVLGONX-UHFFFAOYSA-P
XLogP2.56
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The IUPAC name of ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium (CID 174668717) is ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium.
What is the SMILES notation for ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The canonical SMILES for ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is CC.CCNCC.CCNCC.O=[P+](O)O[P+](=O)O.
What is the InChIKey of ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
The InChIKey is ZPAAPTONVLGONX-UHFFFAOYSA-P. The full InChI is InChI=1S/2C4H11N.C2H6.O5P2/c2*1-3-5-4-2;1-2;1-6(2)5-7(3)4/h2*5H,3-4H2,1-2H3;1-2H3;/p+2.
What are the key properties of ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium?
ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium has a molecular weight of 320.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(N-ethylethanamine);hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium is sourced from PubChem (CID 174668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).