bromomethane;triethyl(2-hydroxyethyl)phosphanium

C9H23BrOP+ — CID 156727237

IUPACbromomethane;triethyl(2-hydroxyethyl)phosphanium
SMILESCBr.CC[P+](CC)(CC)CCO
InChIInChI=1S/C8H20OP.CH3Br/c1-4-10(5-2,6-3)8-7-9;1-2/h9H,4-8H2,1-3H3;1H3/q+1;
InChIKeyXXJRAIJYHNWBHR-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.07
Rot. Bonds5

About bromomethane;triethyl(2-hydroxyethyl)phosphanium

bromomethane;triethyl(2-hydroxyethyl)phosphanium (PubChem CID 156727237) has the molecular formula C9H23BrOP+ and a molecular weight of 258.16 g/mol. Its IUPAC name is bromomethane;triethyl(2-hydroxyethyl)phosphanium.

Molecular Properties

Compound Namebromomethane;triethyl(2-hydroxyethyl)phosphanium
PubChem CID156727237
Molecular FormulaC9H23BrOP+
Molecular Weight258.16 g/mol
Exact Mass257.07
IUPAC Namebromomethane;triethyl(2-hydroxyethyl)phosphanium
SMILESCBr.CC[P+](CC)(CC)CCO
InChIInChI=1S/C8H20OP.CH3Br/c1-4-10(5-2,6-3)8-7-9;1-2/h9H,4-8H2,1-3H3;1H3/q+1;
InChIKeyXXJRAIJYHNWBHR-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methanolate;tetraethylphosphanium
CID 87447314
tris(2-hydroxyethyl)-(hydroxymethyl)phosphanium chloride
CID 19733968
3-(bromomethyl)pentan-1-ol
CID 87203201
copper tetraethylphosphanium
CID 162135788
tris(2-hydroxyethyl)-methylphosphanium
CID 14746820
3,5,8-triethyldecane-1,10-diol
CID 87065848
triethyl(octyl)phosphanium
CID 18769208
tetraethylphosphanium;tetramethylphosphanium;tetrapropylphosphanium;tribromide
CID 173320390
ethyl-[2-[ethyl(dipropyl)phosphaniumyl]ethyl]-dipropylphosphanium
CID 58445068
bis(propane-1,1-diol);bis(propan-1-ol)
CID 159811925
phosphanium;tetraethylphosphanium;dibromide
CID 172814307
triethyl(3-oxopropyl)phosphanium
CID 89178953

Frequently Asked Questions

What is the IUPAC name of bromomethane;triethyl(2-hydroxyethyl)phosphanium?
The IUPAC name of bromomethane;triethyl(2-hydroxyethyl)phosphanium (CID 156727237) is bromomethane;triethyl(2-hydroxyethyl)phosphanium.
What is the SMILES notation for bromomethane;triethyl(2-hydroxyethyl)phosphanium?
The canonical SMILES for bromomethane;triethyl(2-hydroxyethyl)phosphanium is CBr.CC[P+](CC)(CC)CCO.
What is the InChIKey of bromomethane;triethyl(2-hydroxyethyl)phosphanium?
The InChIKey is XXJRAIJYHNWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20OP.CH3Br/c1-4-10(5-2,6-3)8-7-9;1-2/h9H,4-8H2,1-3H3;1H3/q+1;.
What are the key properties of bromomethane;triethyl(2-hydroxyethyl)phosphanium?
bromomethane;triethyl(2-hydroxyethyl)phosphanium has a molecular weight of 258.16 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;triethyl(2-hydroxyethyl)phosphanium is sourced from PubChem (CID 156727237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).