potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide

C8H12BrKO8 — CID 158394208

IUPACpotassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide
SMILESO=C1OCC(CO)O1.O=C=O.OCC1CO1.[Br-].[K+]
InChIInChI=1S/C4H6O4.C3H6O2.CO2.BrH.K/c5-1-3-2-7-4(6)8-3;4-1-3-2-5-3;2-1-3;;/h3,5H,1-2H2;3-4H,1-2H2;;1H;/q;;;;+1/p-1
InChIKeyGXIOVYHEHPEOPZ-UHFFFAOYSA-M
MW355.18 g/mol
LogP-7.68
Rot. Bonds2

About potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide

potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide (PubChem CID 158394208) has the molecular formula C8H12BrKO8 and a molecular weight of 355.18 g/mol. Its IUPAC name is potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide.

Molecular Properties

Compound Namepotassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide
PubChem CID158394208
Molecular FormulaC8H12BrKO8
Molecular Weight355.18 g/mol
Exact Mass353.94
IUPAC Namepotassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide
SMILESO=C1OCC(CO)O1.O=C=O.OCC1CO1.[Br-].[K+]
InChIInChI=1S/C4H6O4.C3H6O2.CO2.BrH.K/c5-1-3-2-7-4(6)8-3;4-1-3-2-5-3;2-1-3;;/h3,5H,1-2H2;3-4H,1-2H2;;1H;/q;;;;+1/p-1
InChIKeyGXIOVYHEHPEOPZ-UHFFFAOYSA-M
XLogP-7.68
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 5-7.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
acetic acid;4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 131738683
carbon dioxide;2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane;bis(4-[[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]-2,2-bis[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]propoxy]methyl]-1,3-dioxolan-2-one)
CID 160740961
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
molecular iodine;oxiran-2-ylmethanol
CID 159687317
cyanic acid;oxiran-2-ylmethanol
CID 175278425
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
4-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-dioxolan-2-one
CID 69116194
oxiran-2-ylmethanol;propane
CID 91466926

Frequently Asked Questions

What is the IUPAC name of potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide?
The IUPAC name of potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide (CID 158394208) is potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide.
What is the SMILES notation for potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide?
The canonical SMILES for potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide is O=C1OCC(CO)O1.O=C=O.OCC1CO1.[Br-].[K+].
What is the InChIKey of potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide?
The InChIKey is GXIOVYHEHPEOPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O4.C3H6O2.CO2.BrH.K/c5-1-3-2-7-4(6)8-3;4-1-3-2-5-3;2-1-3;;/h3,5H,1-2H2;3-4H,1-2H2;;1H;/q;;;;+1/p-1.
What are the key properties of potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide?
potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide has a molecular weight of 355.18 g/mol, XLogP of -7.68, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbon dioxide;4-(hydroxymethyl)-1,3-dioxolan-2-one;oxiran-2-ylmethanol;bromide is sourced from PubChem (CID 158394208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).