dipotassium;3-bromoprop-1-ene;carbonate

C4H5BrK2O3 — CID 86748963

IUPACdipotassium;3-bromoprop-1-ene;carbonate
SMILESC=CCBr.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C3H5Br.CH2O3.2K/c1-2-3-4;2-1(3)4;;/h2H,1,3H2;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyKBCDFERQDOOAON-UHFFFAOYSA-L
MW259.18 g/mol
LogP-6.87
Rot. Bonds1

About dipotassium;3-bromoprop-1-ene;carbonate

dipotassium;3-bromoprop-1-ene;carbonate (PubChem CID 86748963) has the molecular formula C4H5BrK2O3 and a molecular weight of 259.18 g/mol. Its IUPAC name is dipotassium;3-bromoprop-1-ene;carbonate.

Molecular Properties

Compound Namedipotassium;3-bromoprop-1-ene;carbonate
PubChem CID86748963
Molecular FormulaC4H5BrK2O3
Molecular Weight259.18 g/mol
Exact Mass257.87
IUPAC Namedipotassium;3-bromoprop-1-ene;carbonate
SMILESC=CCBr.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C3H5Br.CH2O3.2K/c1-2-3-4;2-1(3)4;;/h2H,1,3H2;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyKBCDFERQDOOAON-UHFFFAOYSA-L
XLogP-6.87
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 5-6.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromoprop-1-ene;zinc
CID 87243076
3-bromoprop-1-ene;iodomethane
CID 174834999
tris(prop-2-enyl)azanium acetate
CID 87689086
2-oxo-2-prop-2-enoxyacetate
CID 18533281
azanium but-3-enoate
CID 87111540
disodium;prop-1-ene;carbonate
CID 174861808
dipotassium;disodium;dicarbonate
CID 23505264
potassium;gadolinium(3+);dicarbonate
CID 15348000
dipotassium;phosphane;carbonate
CID 161306374
potassium;hafnium(4+);carbonate
CID 19377245
2-iodopent-4-enoate
CID 18921929
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromoprop-1-ene;carbonate?
The IUPAC name of dipotassium;3-bromoprop-1-ene;carbonate (CID 86748963) is dipotassium;3-bromoprop-1-ene;carbonate.
What is the SMILES notation for dipotassium;3-bromoprop-1-ene;carbonate?
The canonical SMILES for dipotassium;3-bromoprop-1-ene;carbonate is C=CCBr.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;3-bromoprop-1-ene;carbonate?
The InChIKey is KBCDFERQDOOAON-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H5Br.CH2O3.2K/c1-2-3-4;2-1(3)4;;/h2H,1,3H2;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;3-bromoprop-1-ene;carbonate?
dipotassium;3-bromoprop-1-ene;carbonate has a molecular weight of 259.18 g/mol, XLogP of -6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-bromoprop-1-ene;carbonate is sourced from PubChem (CID 86748963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).