potassium;propane-1,2,3-triol;bromide

C3H8BrKO3 — CID 160591555

IUPACpotassium;propane-1,2,3-triol;bromide
SMILESOCC(O)CO.[Br-].[K+]
InChIInChI=1S/C3H8O3.BrH.K/c4-1-3(6)2-5;;/h3-6H,1-2H2;1H;/q;;+1/p-1
InChIKeyRDBYINDATONKAC-UHFFFAOYSA-M
MW211.10 g/mol
LogP-7.66
Rot. Bonds2

About potassium;propane-1,2,3-triol;bromide

potassium;propane-1,2,3-triol;bromide (PubChem CID 160591555) has the molecular formula C3H8BrKO3 and a molecular weight of 211.10 g/mol. Its IUPAC name is potassium;propane-1,2,3-triol;bromide.

Molecular Properties

Compound Namepotassium;propane-1,2,3-triol;bromide
PubChem CID160591555
Molecular FormulaC3H8BrKO3
Molecular Weight211.10 g/mol
Exact Mass209.93
IUPAC Namepotassium;propane-1,2,3-triol;bromide
SMILESOCC(O)CO.[Br-].[K+]
InChIInChI=1S/C3H8O3.BrH.K/c4-1-3(6)2-5;;/h3-6H,1-2H2;1H;/q;;+1/p-1
InChIKeyRDBYINDATONKAC-UHFFFAOYSA-M
XLogP-7.66
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 5-7.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium;propane-1,2,3-triol;bromide?
The IUPAC name of potassium;propane-1,2,3-triol;bromide (CID 160591555) is potassium;propane-1,2,3-triol;bromide.
What is the SMILES notation for potassium;propane-1,2,3-triol;bromide?
The canonical SMILES for potassium;propane-1,2,3-triol;bromide is OCC(O)CO.[Br-].[K+].
What is the InChIKey of potassium;propane-1,2,3-triol;bromide?
The InChIKey is RDBYINDATONKAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3.BrH.K/c4-1-3(6)2-5;;/h3-6H,1-2H2;1H;/q;;+1/p-1.
What are the key properties of potassium;propane-1,2,3-triol;bromide?
potassium;propane-1,2,3-triol;bromide has a molecular weight of 211.10 g/mol, XLogP of -7.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;propane-1,2,3-triol;bromide is sourced from PubChem (CID 160591555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).