1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide

C8H16BrMoN2O2P — CID 174105718

IUPAC1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide
SMILESCCCCn1cc[n+](C)c1.O=[PH]=O.[Br-].[Mo]
InChIInChI=1S/C8H15N2.BrH.Mo.HO2P/c1-3-4-5-10-7-6-9(2)8-10;;;1-3-2/h6-8H,3-5H2,1-2H3;1H;;3H/q+1;;;/p-1
InChIKeyABBRQFXJEUNQBV-UHFFFAOYSA-M
MW379.05 g/mol
LogP-1.53
Rot. Bonds3

About 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide

1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide (PubChem CID 174105718) has the molecular formula C8H16BrMoN2O2P and a molecular weight of 379.05 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide
PubChem CID174105718
Molecular FormulaC8H16BrMoN2O2P
Molecular Weight379.05 g/mol
Exact Mass379.92
IUPAC Name1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide
SMILESCCCCn1cc[n+](C)c1.O=[PH]=O.[Br-].[Mo]
InChIInChI=1S/C8H15N2.BrH.Mo.HO2P/c1-3-4-5-10-7-6-9(2)8-10;;;1-3-2/h6-8H,3-5H2,1-2H3;1H;;3H/q+1;;;/p-1
InChIKeyABBRQFXJEUNQBV-UHFFFAOYSA-M
XLogP-1.53
TPSA42.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-butyl-3-methylimidazolium hexachlorophosphate
CID 139239305
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-butyl-3-methylimidazol-3-ium;urea;chloride
CID 174948726
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide (CID 174105718) is 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide is CCCCn1cc[n+](C)c1.O=[PH]=O.[Br-].[Mo].
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide?
The InChIKey is ABBRQFXJEUNQBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.BrH.Mo.HO2P/c1-3-4-5-10-7-6-9(2)8-10;;;1-3-2/h6-8H,3-5H2,1-2H3;1H;;3H/q+1;;;/p-1.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide?
1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide has a molecular weight of 379.05 g/mol, XLogP of -1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;dioxo-λ5-phosphane;molybdenum;bromide is sourced from PubChem (CID 174105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).