bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium

C10H16N4O3P+3 — CID 123665986

IUPACbis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium
SMILESCn1cc[n+](C)c1O[P+](=O)Oc1n(C)cc[n+]1C
InChIInChI=1S/C10H16N4O3P/c1-11-5-6-12(2)9(11)16-18(15)17-10-13(3)7-8-14(10)4/h5-8H,1-4H3/q+3
InChIKeyDSZMAYRUSUCTSZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.13
Rot. Bonds4

About bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium

bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium (PubChem CID 123665986) has the molecular formula C10H16N4O3P+3 and a molecular weight of 271.24 g/mol. Its IUPAC name is bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium
PubChem CID123665986
Molecular FormulaC10H16N4O3P+3
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Namebis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium
SMILESCn1cc[n+](C)c1O[P+](=O)Oc1n(C)cc[n+]1C
InChIInChI=1S/C10H16N4O3P/c1-11-5-6-12(2)9(11)16-18(15)17-10-13(3)7-8-14(10)4/h5-8H,1-4H3/q+3
InChIKeyDSZMAYRUSUCTSZ-UHFFFAOYSA-N
XLogP0.13
TPSA53.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dimethylimidazol-1-ium-2-yl) formate
CID 91301055
1,2,3-trimethylimidazol-1-ium
CID 158300454
2-iodo-1,3-dimethylimidazol-1-ium
CID 12009773
2-chloro-1,3-dimethylimidazol-1-ium chloride
CID 11126651
(1,3-dimethylimidazol-1-ium-2-yl)-sulfanylidenemethaneselenolate
CID 101083679
methyl carbonate;1,2,3-trimethylimidazol-1-ium
CID 23077197
2-ethynyl-1,3-dimethylimidazol-1-ium
CID 101471663
(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene
CID 123294209
2-fluoro-1,3-dimethylimidazol-1-ium;hexafluorophosphate;hydrochloride
CID 175136521
diethyl phosphate;1,2,3-trimethylimidazol-1-ium
CID 87268880
bis(1-butyl-3-methylimidazol-3-ium-2-yl) carbonate
CID 91051628
dichloro-(1,3-dimethylimidazol-1-ium-2-yl)-phenylboranuide
CID 139185817

Frequently Asked Questions

What is the IUPAC name of bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium?
The IUPAC name of bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium (CID 123665986) is bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium?
The canonical SMILES for bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium is Cn1cc[n+](C)c1O[P+](=O)Oc1n(C)cc[n+]1C.
What is the InChIKey of bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium?
The InChIKey is DSZMAYRUSUCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3P/c1-11-5-6-12(2)9(11)16-18(15)17-10-13(3)7-8-14(10)4/h5-8H,1-4H3/q+3.
What are the key properties of bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium?
bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium has a molecular weight of 271.24 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1,3-dimethylimidazol-1-ium-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 123665986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).