disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine

C12H28N2Na2O3P+ — CID 175452902

IUPACdisodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
SMILESC=C.C=C.C=C.NCCCCCCN.O=[P+]([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H16N2.3C2H4.2Na.HO3P/c7-5-3-1-2-4-6-8;3*1-2;;;1-4(2)3/h1-8H2;3*1-2H2;;;(H,1,2,3)/q;;;;2*+1;/p-1
InChIKeyMAXLJVGMXCHNCR-UHFFFAOYSA-M
MW325.32 g/mol
LogP-4.76
Rot. Bonds5

About disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine

disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine (PubChem CID 175452902) has the molecular formula C12H28N2Na2O3P+ and a molecular weight of 325.32 g/mol. Its IUPAC name is disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine.

Molecular Properties

Compound Namedisodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
PubChem CID175452902
Molecular FormulaC12H28N2Na2O3P+
Molecular Weight325.32 g/mol
Exact Mass325.16
IUPAC Namedisodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
SMILESC=C.C=C.C=C.NCCCCCCN.O=[P+]([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C6H16N2.3C2H4.2Na.HO3P/c7-5-3-1-2-4-6-8;3*1-2;;;1-4(2)3/h1-8H2;3*1-2H2;;;(H,1,2,3)/q;;;;2*+1;/p-1
InChIKeyMAXLJVGMXCHNCR-UHFFFAOYSA-M
XLogP-4.76
TPSA115.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-4.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine
CID 175452919
tetrasodium;bis(dioxido(oxo)phosphanium);ethane-1,2-diamine
CID 175441784
ethene;pentane-1,5-diamine
CID 155743145
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
octatriacontane-1,38-diamine
CID 54235792
dioxido(oxo)phosphanium;ethene
CID 19438484
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
sodium;hexane-1,6-diamine;hydroxide;hydrate
CID 174844737
pentane-1,5-diamine;tantalum
CID 159829635
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
octane-1,8-diamine;hydroiodide
CID 166637894

Frequently Asked Questions

What is the IUPAC name of disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine?
The IUPAC name of disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine (CID 175452902) is disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine.
What is the SMILES notation for disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine?
The canonical SMILES for disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine is C=C.C=C.C=C.NCCCCCCN.O=[P+]([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine?
The InChIKey is MAXLJVGMXCHNCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N2.3C2H4.2Na.HO3P/c7-5-3-1-2-4-6-8;3*1-2;;;1-4(2)3/h1-8H2;3*1-2H2;;;(H,1,2,3)/q;;;;2*+1;/p-1.
What are the key properties of disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine?
disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine has a molecular weight of 325.32 g/mol, XLogP of -4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dioxido(oxo)phosphanium;ethene;hexane-1,6-diamine is sourced from PubChem (CID 175452902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).