dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)

C17H33N4O3P — CID 153326203

IUPACdioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)
SMILESCCCCCP(=O)([O-])[O-].CCn1cc[n+](C)c1.CCn1cc[n+](C)c1
InChIInChI=1S/2C6H11N2.C5H13O3P/c2*1-3-8-5-4-7(2)6-8;1-2-3-4-5-9(6,7)8/h2*4-6H,3H2,1-2H3;2-5H2,1H3,(H2,6,7,8)/q2*+1;/p-2
InChIKeyLMLXRYSSKQAMDH-UHFFFAOYSA-L
MW372.45 g/mol
LogP0.76
Rot. Bonds6

About dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)

dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium) (PubChem CID 153326203) has the molecular formula C17H33N4O3P and a molecular weight of 372.45 g/mol. Its IUPAC name is dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium).

Molecular Properties

Compound Namedioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)
PubChem CID153326203
Molecular FormulaC17H33N4O3P
Molecular Weight372.45 g/mol
Exact Mass372.23
IUPAC Namedioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)
SMILESCCCCCP(=O)([O-])[O-].CCn1cc[n+](C)c1.CCn1cc[n+](C)c1
InChIInChI=1S/2C6H11N2.C5H13O3P/c2*1-3-8-5-4-7(2)6-8;1-2-3-4-5-9(6,7)8/h2*4-6H,3H2,1-2H3;2-5H2,1H3,(H2,6,7,8)/q2*+1;/p-2
InChIKeyLMLXRYSSKQAMDH-UHFFFAOYSA-L
XLogP0.76
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
CID 173063535
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
CID 173195338
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
bis(1-ethyl-3-methylimidazol-3-ium);1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182737
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
dipropyl phosphate;1-methyl-3-pentylimidazol-1-ium
CID 89414213
dimethyl phosphate;1-hexadecyl-3-methylimidazol-3-ium
CID 86677011
magnesium dodecyl-dioxido-oxo-λ5-phosphane
CID 165391544
1-ethyl-3-methylimidazol-3-ium;ethyl methyl phosphate
CID 175197443
dipropyl phosphate;1-methyl-3-octylimidazol-1-ium
CID 89414402

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)?
The IUPAC name of dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium) (CID 153326203) is dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium).
What is the SMILES notation for dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)?
The canonical SMILES for dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium) is CCCCCP(=O)([O-])[O-].CCn1cc[n+](C)c1.CCn1cc[n+](C)c1.
What is the InChIKey of dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)?
The InChIKey is LMLXRYSSKQAMDH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H11N2.C5H13O3P/c2*1-3-8-5-4-7(2)6-8;1-2-3-4-5-9(6,7)8/h2*4-6H,3H2,1-2H3;2-5H2,1H3,(H2,6,7,8)/q2*+1;/p-2.
What are the key properties of dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium)?
dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium) has a molecular weight of 372.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-pentyl-λ5-phosphane;bis(1-ethyl-3-methylimidazol-3-ium) is sourced from PubChem (CID 153326203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).