potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate

C12H23Cl2KO3 — CID 158666548

IUPACpotassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate
SMILESC=COC=C.CC(C)(C)[O-].ClCCOCCCl.[K+]
InChIInChI=1S/C4H8Cl2O.C4H9O.C4H6O.K/c5-1-3-7-4-2-6;1-4(2,3)5;1-3-5-4-2;/h1-4H2;1-3H3;3-4H,1-2H2;/q;-1;;+1
InChIKeyNAMCZZJGMQUEOF-UHFFFAOYSA-N
MW325.32 g/mol
LogP-0.08
Rot. Bonds6

About potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate

potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate (PubChem CID 158666548) has the molecular formula C12H23Cl2KO3 and a molecular weight of 325.32 g/mol. Its IUPAC name is potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate
PubChem CID158666548
Molecular FormulaC12H23Cl2KO3
Molecular Weight325.32 g/mol
Exact Mass324.07
IUPAC Namepotassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate
SMILESC=COC=C.CC(C)(C)[O-].ClCCOCCCl.[K+]
InChIInChI=1S/C4H8Cl2O.C4H9O.C4H6O.K/c5-1-3-7-4-2-6;1-4(2,3)5;1-3-5-4-2;/h1-4H2;1-3H3;3-4H,1-2H2;/q;-1;;+1
InChIKeyNAMCZZJGMQUEOF-UHFFFAOYSA-N
XLogP-0.08
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate?
The IUPAC name of potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate (CID 158666548) is potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate.
What is the SMILES notation for potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate?
The canonical SMILES for potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate is C=COC=C.CC(C)(C)[O-].ClCCOCCCl.[K+].
What is the InChIKey of potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate?
The InChIKey is NAMCZZJGMQUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O.C4H9O.C4H6O.K/c5-1-3-7-4-2-6;1-4(2,3)5;1-3-5-4-2;/h1-4H2;1-3H3;3-4H,1-2H2;/q;-1;;+1.
What are the key properties of potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate?
potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate has a molecular weight of 325.32 g/mol, XLogP of -0.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-chloro-2-(2-chloroethoxy)ethane;ethenoxyethene;2-methylpropan-2-olate is sourced from PubChem (CID 158666548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).