dipotassium;1-iodobutane;carbonate

C5H9IK2O3 — CID 159571873

IUPACdipotassium;1-iodobutane;carbonate
SMILESCCCCI.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C4H9I.CH2O3.2K/c1-2-3-4-5;2-1(3)4;;/h2-4H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyQZWLLAWAHSABMI-UHFFFAOYSA-L
MW322.22 g/mol
LogP-6.22
Rot. Bonds2

About dipotassium;1-iodobutane;carbonate

dipotassium;1-iodobutane;carbonate (PubChem CID 159571873) has the molecular formula C5H9IK2O3 and a molecular weight of 322.22 g/mol. Its IUPAC name is dipotassium;1-iodobutane;carbonate.

Molecular Properties

Compound Namedipotassium;1-iodobutane;carbonate
PubChem CID159571873
Molecular FormulaC5H9IK2O3
Molecular Weight322.22 g/mol
Exact Mass321.89
IUPAC Namedipotassium;1-iodobutane;carbonate
SMILESCCCCI.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C4H9I.CH2O3.2K/c1-2-3-4-5;2-1(3)4;;/h2-4H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyQZWLLAWAHSABMI-UHFFFAOYSA-L
XLogP-6.22
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 5-6.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-iodobutane;propanedioic acid
CID 174513661
ethane;hexane;dicarbonate;hydrate
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1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
CID 159910263
zinc;hexane;diacetate
CID 174575867
butylazanium;oxalate
CID 19844195
bis(tetrabutylazanium);carbonate
CID 14746847
octylazanium;carbonate
CID 141329834
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptanoate
CID 23681741
potassium pentadecanoate
CID 23696764

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-iodobutane;carbonate?
The IUPAC name of dipotassium;1-iodobutane;carbonate (CID 159571873) is dipotassium;1-iodobutane;carbonate.
What is the SMILES notation for dipotassium;1-iodobutane;carbonate?
The canonical SMILES for dipotassium;1-iodobutane;carbonate is CCCCI.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;1-iodobutane;carbonate?
The InChIKey is QZWLLAWAHSABMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9I.CH2O3.2K/c1-2-3-4-5;2-1(3)4;;/h2-4H2,1H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;1-iodobutane;carbonate?
dipotassium;1-iodobutane;carbonate has a molecular weight of 322.22 g/mol, XLogP of -6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-iodobutane;carbonate is sourced from PubChem (CID 159571873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).